1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol

C15H19NO2 — CID 54970174

IUPAC1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol
SMILESOCC#Cc1ccc(CN2CCCC(O)C2)cc1
InChIInChI=1S/C15H19NO2/c17-10-2-3-13-5-7-14(8-6-13)11-16-9-1-4-15(18)12-16/h5-8,15,17-18H,1,4,9-12H2
InChIKeyJKEMGMVEBGNIAB-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.99
Rot. Bonds2

About 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol

1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol (PubChem CID 54970174) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol
PubChem CID54970174
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol
SMILESOCC#Cc1ccc(CN2CCCC(O)C2)cc1
InChIInChI=1S/C15H19NO2/c17-10-2-3-13-5-7-14(8-6-13)11-16-9-1-4-15(18)12-16/h5-8,15,17-18H,1,4,9-12H2
InChIKeyJKEMGMVEBGNIAB-UHFFFAOYSA-N
XLogP0.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 102964608
1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol
CID 62942831
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
(3R)-1-benzylazepan-3-ol
CID 124585423
3-[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54969684
(3R,4S)-1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol
CID 70761370
3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54969834
4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 78930300
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
CID 46739874
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarbothioamide
CID 61434501
3-[4-[[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]phenyl]prop-2-yn-1-ol
CID 95137387
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol (CID 54970174) is 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol is OCC#Cc1ccc(CN2CCCC(O)C2)cc1.
What is the InChIKey of 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol?
The InChIKey is JKEMGMVEBGNIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-10-2-3-13-5-7-14(8-6-13)11-16-9-1-4-15(18)12-16/h5-8,15,17-18H,1,4,9-12H2.
What are the key properties of 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol?
1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol has a molecular weight of 245.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 54970174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).