[1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol

C13H18ClNO2 — CID 114064234

IUPAC[1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
SMILESOCc1ccc(N2CCCC(CO)C2)cc1Cl
InChIInChI=1S/C13H18ClNO2/c14-13-6-12(4-3-11(13)9-17)15-5-1-2-10(7-15)8-16/h3-4,6,10,16-17H,1-2,5,7-9H2
InChIKeyWWJJKQRAVHDGJZ-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.04
Rot. Bonds3

About [1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol

[1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol (PubChem CID 114064234) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is [1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
PubChem CID114064234
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name[1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
SMILESOCc1ccc(N2CCCC(CO)C2)cc1Cl
InChIInChI=1S/C13H18ClNO2/c14-13-6-12(4-3-11(13)9-17)15-5-1-2-10(7-15)8-16/h3-4,6,10,16-17H,1-2,5,7-9H2
InChIKeyWWJJKQRAVHDGJZ-UHFFFAOYSA-N
XLogP2.04
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 114064308
[2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol
CID 114064266
4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 94373344
[1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol
CID 63082651
1-[4-[3-chloro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanone
CID 54014888
3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine
CID 68824740
[1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
CID 114061366
1-[3-chloro-4-(hydroxymethyl)phenyl]-4-methylazepan-4-ol
CID 114064313
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
[1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol
CID 102750420
[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]methanol
CID 62910419
(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine
CID 82038542

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol (CID 114064234) is [1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol is OCc1ccc(N2CCCC(CO)C2)cc1Cl.
What is the InChIKey of [1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol?
The InChIKey is WWJJKQRAVHDGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-13-6-12(4-3-11(13)9-17)15-5-1-2-10(7-15)8-16/h3-4,6,10,16-17H,1-2,5,7-9H2.
What are the key properties of [1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol?
[1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol has a molecular weight of 255.74 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol is sourced from PubChem (CID 114064234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).