1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol

C14H20ClNO — CID 155302788

IUPAC1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol
SMILESCC1CC(O)CCN1CCc1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-11-10-13(17)7-9-16(11)8-6-12-4-2-3-5-14(12)15/h2-5,11,13,17H,6-10H2,1H3
InChIKeyASINLCVADOWZDU-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.73
Rot. Bonds3

About 1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol

1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol (PubChem CID 155302788) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol
PubChem CID155302788
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol
SMILESCC1CC(O)CCN1CCc1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-11-10-13(17)7-9-16(11)8-6-12-4-2-3-5-14(12)15/h2-5,11,13,17H,6-10H2,1H3
InChIKeyASINLCVADOWZDU-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol
CID 155302706
2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline
CID 62496588
(8S,9aR)-2-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 133110749
1-butyl-2-methylpiperidin-4-ol
CID 119028950
1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol
CID 155302648
4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one
CID 126987742
3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 78785123
(2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine
CID 176781027
[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine
CID 81321986
benzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate
CID 167142775
1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62644751
N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 23931096

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol (CID 155302788) is 1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol is CC1CC(O)CCN1CCc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol?
The InChIKey is ASINLCVADOWZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11-10-13(17)7-9-16(11)8-6-12-4-2-3-5-14(12)15/h2-5,11,13,17H,6-10H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol?
1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol has a molecular weight of 253.77 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol is sourced from PubChem (CID 155302788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).