2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol

C14H20ClNO2 — CID 116860097

IUPAC2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
SMILESCOc1ccc(C(CO)N2CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-18-14-6-5-11(9-12(14)15)13(10-17)16-7-3-2-4-8-16/h5-6,9,13,17H,2-4,7-8,10H2,1H3
InChIKeyUYDNKOCOPIERPP-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.87
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol

2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol (PubChem CID 116860097) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
PubChem CID116860097
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
SMILESCOc1ccc(C(CO)N2CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-18-14-6-5-11(9-12(14)15)13(10-17)16-7-3-2-4-8-16/h5-6,9,13,17H,2-4,7-8,10H2,1H3
InChIKeyUYDNKOCOPIERPP-UHFFFAOYSA-N
XLogP2.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 82123734
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine
CID 92967700
2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860294
2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 65021681
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 82120406
2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 65021633
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 65021916
3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17012253
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol (CID 116860097) is 2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol is COc1ccc(C(CO)N2CCCCC2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol?
The InChIKey is UYDNKOCOPIERPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-18-14-6-5-11(9-12(14)15)13(10-17)16-7-3-2-4-8-16/h5-6,9,13,17H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol?
2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol has a molecular weight of 269.77 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol is sourced from PubChem (CID 116860097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).