1-(Azetidin-3-YL)piperidin-4-OL

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Basic information

CAS: 178311-52-9
Standard SMILES: OC1CCN(C2CNC2)CC1
InChIKey: IHGNBJWWDCIHNA-UHFFFAOYSA-N
Molecular formula: C8H16N2O
Average molar mass: 156.23 g/mol
Monoisotopic mass: 156.12626314

Names & identifiers

Preferred name: 1-(Azetidin-3-YL)piperidin-4-OL
IUPAC: 1-(azetidin-3-yl)piperidin-4-ol
English name: 1-(3-Azetidinyl)-4-piperidinol
Molecular formula: C8H16N2O
Molecular weight: 156.23

Names & synonyms

1-(AZETIDIN-3-YL)PIPERIDIN-4-OL178311-52-91-(3-AZETIDINYL)-4-PIPERIDINOLSCHEMBL26733801-Azetidin-3-ylpiperidin-4-ol3-(4-hydroxypiperidyl)azetidineDTXSID90622159IHGNBJWWDCIHNA-UHFFFAOYSA-NAKOS006332209SB10081DB-065219CS-0185366

Show more names

1-(Azetidin-3-y)piperidin-4-ol4-Piperidinol, 1-(3-azetidinyl)-1-(Azetidin-3-yl)piperidin-4-ol di-trifluoroaceate

EN300-1245308

Database identifiers

CAS: 178311-52-9
PubChem CID: 22061379
DTXSID: DTXSID90622159

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 128

Physicochemical properties

Boiling point: 289.3 · 289.3±25.0 °C(Predicted)
Density: 1.155 · 1.155±0.06 g/cm3(Predicted)
pka: 14.85 · 14.85±0.20(Predicted)

Related reactions

17 records

New reaction record

HRID 286210As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 307982As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 822780As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 827064As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1208065As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1457090As productuspto-grants-1998_12

HRID 1922669As productuspto-grants-2012_05

HRID 1922786As reactantuspto-grants-2012_05

Compound notes

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