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Methyl 2-(3-(hydroxymethyl)piperidin-1-yl)nicotinate hydrochloride

HCID 45786804
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1185312-53-1
Standard SMILES
COC(=O)c1cccnc1N1CCCC(CO)C1.Cl
InChIKey
CKLIHYULYBHAPH-UHFFFAOYSA-N
Molecular formula
C13H19ClN2O3
Average molar mass
286.75 g/mol
Monoisotopic mass
286.10842015

Names & identifiers

Preferred name
Methyl 2-(3-(hydroxymethyl)piperidin-1-yl)nicotinate hydrochloride
IUPAC
methyl 2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;hydrochloride
English name
3-HydroxyMethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3'-carboxylic acid Methyl ester hydrochloride, 98+% C13H19ClN2O3, MW: 286.76
Molecular formula
C13H19ClN2O3
Molecular weight
286.75456

Names & synonyms

1185312-53-1Methyl 2-(3-(hydroxymethyl)piperidin-1-yl)nicotinate hydrochloridemethyl 2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;hydrochloride3-Hydroxymethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3'-carboxylic acid methyl ester hydrochlorideDTXSID60671457SBB074820AKOS015940937Methyl2-(3-(hydroxymethyl)piperidin-1-yl)nicotinatehydrochloridemethyl 2-[3-(hydroxymethyl)piperidyl]pyridine-3-carboxylate, chlorideMethyl 2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate--hydrogen chloride (1/1)methyl 2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate3-Hydroxymethyl-3,4,5,6-tetrahydro-2H-[1,2]bipyridinyl-3-carboxylic acid met
Show more names
2-[3-(Hydroxymethyl)-1-piperidinyl]-3-pyridinecarboxylic acid methyl ester hydrochloride3-HydroxyMethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3'-carboxylic acid Methyl ester hydrochloride, 98+% C13H19ClN2O3, MW: 286.76

Properties

Computed structural properties

Topological polar surface area
62.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
285

Chemistry & industry

Suppliers4 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
重庆卡兰医药有限公司[email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
1185312-53-1
PubChem CID
45786804
DTXSID
DTXSID60671457