1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol

C14H20ClNO2 — CID 82305735

IUPAC1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol
SMILESCOc1ccc(C(C)(O)C2CCCNC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-14(17,11-4-3-7-16-9-11)10-5-6-13(18-2)12(15)8-10/h5-6,8,11,16-17H,3-4,7,9H2,1-2H3
InChIKeyPNRQVWLDWYYNPM-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.56
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol

1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol (PubChem CID 82305735) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol
PubChem CID82305735
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol
SMILESCOc1ccc(C(C)(O)C2CCCNC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-14(17,11-4-3-7-16-9-11)10-5-6-13(18-2)12(15)8-10/h5-6,8,11,16-17H,3-4,7,9H2,1-2H3
InChIKeyPNRQVWLDWYYNPM-UHFFFAOYSA-N
XLogP2.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol
CID 63586623
1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol
CID 65145742
1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol
CID 114794874
1-(4-aminophenyl)-1-piperidin-3-ylethanol
CID 115032208
1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 82303353
1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol
CID 116505257
2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene
CID 116841642
1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82291205
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
1-piperidin-3-yl-1-pyridin-3-ylethanol
CID 63585901
N-(2-methoxy-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198711
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65026309

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol (CID 82305735) is 1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol is COc1ccc(C(C)(O)C2CCCNC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol?
The InChIKey is PNRQVWLDWYYNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-14(17,11-4-3-7-16-9-11)10-5-6-13(18-2)12(15)8-10/h5-6,8,11,16-17H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol?
1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol has a molecular weight of 269.77 g/mol, XLogP of 2.56, 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-methoxyphenyl)-1-piperidin-3-ylethanol is sourced from PubChem (CID 82305735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).