3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol

C14H20ClNO — CID 110540158

IUPAC3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)C(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNO/c1-2-16-7-6-14(17)12(10-16)8-11-4-3-5-13(15)9-11/h3-5,9,12,14,17H,2,6-8,10H2,1H3
InChIKeyOKTCFNMCQZWEAW-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.59
Rot. Bonds3

About 3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol

3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol (PubChem CID 110540158) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol
PubChem CID110540158
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)C(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNO/c1-2-16-7-6-14(17)12(10-16)8-11-4-3-5-13(15)9-11/h3-5,9,12,14,17H,2,6-8,10H2,1H3
InChIKeyOKTCFNMCQZWEAW-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537918
3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol
CID 110534149
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol
CID 110535833
3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 118991788
3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535975
1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110535914
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
1-ethyl-3-(pyridin-2-ylmethyl)piperidin-4-ol
CID 110540631
3-[(3-chlorophenyl)methyl]-1-methylazetidine
CID 155020955
3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537452
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol (CID 110540158) is 3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol is CCN1CCC(O)C(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol?
The InChIKey is OKTCFNMCQZWEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-16-7-6-14(17)12(10-16)8-11-4-3-5-13(15)9-11/h3-5,9,12,14,17H,2,6-8,10H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol?
3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol has a molecular weight of 253.77 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 110540158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).