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

C14H20ClNO2 — CID 82123734

IUPAC1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
SMILESCOc1ccc(C(O)CN2CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-18-14-6-5-11(9-12(14)15)13(17)10-16-7-3-2-4-8-16/h5-6,9,13,17H,2-4,7-8,10H2,1H3
InChIKeyVGKNYBUUCDKWIQ-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.87
Rot. Bonds4

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

1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol (PubChem CID 82123734) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
PubChem CID82123734
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
SMILESCOc1ccc(C(O)CN2CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-18-14-6-5-11(9-12(14)15)13(17)10-16-7-3-2-4-8-16/h5-6,9,13,17H,2-4,7-8,10H2,1H3
InChIKeyVGKNYBUUCDKWIQ-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-pyrrolidin-1-ylethanol
CID 82120406
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435
(1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol
CID 95125897
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
1-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)ethanol
CID 82487771
2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 116860097
1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 12952367
(1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol
CID 95104680
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol
CID 82122257
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 53180160

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol (CID 82123734) is 1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol is COc1ccc(C(O)CN2CCCCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol?
The InChIKey is VGKNYBUUCDKWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-18-14-6-5-11(9-12(14)15)13(17)10-16-7-3-2-4-8-16/h5-6,9,13,17H,2-4,7-8,10H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol?
1-(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 1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol is sourced from PubChem (CID 82123734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).