[1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol

C17H26ClNO2 — CID 138032849

IUPAC[1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol
SMILESCOc1cccc(CN2CCCC(CO)(C(C)C)C2)c1Cl
InChIInChI=1S/C17H26ClNO2/c1-13(2)17(12-20)8-5-9-19(11-17)10-14-6-4-7-15(21-3)16(14)18/h4,6-7,13,20H,5,8-12H2,1-3H3
InChIKeyWOWXYBSMUYIAQI-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.58
Rot. Bonds5

About [1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol

[1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol (PubChem CID 138032849) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is [1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol
PubChem CID138032849
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name[1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol
SMILESCOc1cccc(CN2CCCC(CO)(C(C)C)C2)c1Cl
InChIInChI=1S/C17H26ClNO2/c1-13(2)17(12-20)8-5-9-19(11-17)10-14-6-4-7-15(21-3)16(14)18/h4,6-7,13,20H,5,8-12H2,1-3H3
InChIKeyWOWXYBSMUYIAQI-UHFFFAOYSA-N
XLogP3.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride
CID 131703576
[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45213151
2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 3233910
1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140979
2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol
CID 102849331
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95729851
[(3S)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42215033
3-amino-1-[(2-hydroxy-3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107320977
N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine
CID 117280945
1-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233425
3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol
CID 101118969

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol?
The IUPAC name of [1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol (CID 138032849) is [1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol is COc1cccc(CN2CCCC(CO)(C(C)C)C2)c1Cl.
What is the InChIKey of [1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol?
The InChIKey is WOWXYBSMUYIAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-13(2)17(12-20)8-5-9-19(11-17)10-14-6-4-7-15(21-3)16(14)18/h4,6-7,13,20H,5,8-12H2,1-3H3.
What are the key properties of [1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol?
[1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol has a molecular weight of 311.85 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol is sourced from PubChem (CID 138032849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).