[1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol

C15H22ClNO — CID 110022481

IUPAC[1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol
SMILESCc1cc(CN2CC(CO)CCC2C)ccc1Cl
InChIInChI=1S/C15H22ClNO/c1-11-7-13(5-6-15(11)16)8-17-9-14(10-18)4-3-12(17)2/h5-7,12,14,18H,3-4,8-10H2,1-2H3
InChIKeyXOSJQAWKFRTJAB-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.24
Rot. Bonds3

About [1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol

[1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol (PubChem CID 110022481) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol
PubChem CID110022481
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol
SMILESCc1cc(CN2CC(CO)CCC2C)ccc1Cl
InChIInChI=1S/C15H22ClNO/c1-11-7-13(5-6-15(11)16)8-17-9-14(10-18)4-3-12(17)2/h5-7,12,14,18H,3-4,8-10H2,1-2H3
InChIKeyXOSJQAWKFRTJAB-UHFFFAOYSA-N
XLogP3.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-benzyl-6-methylpiperidin-3-yl)methanol
CID 22106848
[1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 66480996
[(3R,6S)-1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpiperidin-3-yl]methanol
CID 97160169
[1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 65026475
[6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine
CID 54989394
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788541
[(3S,6R)-1-[(E)-4-[(2R,5S)-5-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-6-methylpiperidin-3-yl]methanol
CID 129432810
(2-chloro-4-methylphenyl)-[(2S,5S)-5-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
CID 100628404
1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-one
CID 59534346
4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]-2-methoxybenzonitrile
CID 106792785
[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 54989344

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol?
The IUPAC name of [1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol (CID 110022481) is [1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol is Cc1cc(CN2CC(CO)CCC2C)ccc1Cl.
What is the InChIKey of [1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol?
The InChIKey is XOSJQAWKFRTJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11-7-13(5-6-15(11)16)8-17-9-14(10-18)4-3-12(17)2/h5-7,12,14,18H,3-4,8-10H2,1-2H3.
What are the key properties of [1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol?
[1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol has a molecular weight of 267.80 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 110022481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).