Basic information
- CAS
75240-91-4- Standard SMILES
CCCN1CCCC(c2cccc(O)c2)C1- InChIKey
HTSNFXAICLXZMA-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Overview
3-(1-propyl-3-piperidinyl)phenol is a member of piperidines.
Names & identifiers
- Preferred name
- Preclamol, (A+-)-
- IUPAC
- 3-(1-propylpiperidin-3-yl)phenol
- English name
- n-N-propyl-3-(3-hydroxyphenyl)piperidine
- Molecular formula
- C14H21NO
- Molecular weight
- 219.32
Names & synonyms
3-PPPND3NDM2EHMN-n-Propyl-3-(3-hydroxyphenyl)piperidinePreclamol, (A+-)-RefChem:10965863-(1-propylpiperidin-3-yl)phenol3-(1-Propyl-3-piperidinyl)phenol75240-91-4CHEMBL276500PPP, S(-)-3PPP, R(+)-3(+)-3-(3-Hydroxyphenyl)-N-(1-propyl)piperidine
Show more names
Phenol, 3-(1-propyl-3-piperidinyl)-3-(1-PROPYLPIPERIDIN-3-YL)PHENOL(WXG01480)
(+/-)-Preclamol(A+/-)-PreclamolUNII-ND3NDM2EHMPreclamol, (+/-)-Oprea1_004907SCHEMBL872804SCHEMBL29414104BDBM81924
Database identifiers
- CAS
75240-91-4- PubChem CID
- 55445
- DTXSID
DTXSID10861083- ChEMBL
CHEMBL276500- ChEBI
CHEBI:125440- UNII
- ND3NDM2EHM
- Nikkaji
- J22.923G、J294.040J、J294.041H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 92 · 92-94 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
- Boiling point
- 342.2 · 342.2±35.0 °C(Predicted)
- Density
- 1.023 · 1.023±0.06 g/cm3(Predicted)
- pka
- 9.95 · 9.95±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 NDM2EHM · ND3NDM2EHM
Chemistry & industry
Suppliers2 total
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Additional notes
DefinitionChEBI: 3-(1-propyl-3-piperidinyl)phenol is a member of piperidines.
Related reactions
4 records
Compound notes
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