2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride

C22H34Cl2N2O2 — CID 13061493

IUPAC2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CC1(O)CCN(CCc2ccccc2Cl)CC1)C1CCCCC1.Cl
InChIInChI=1S/C22H33ClN2O2.ClH/c1-24(19-8-3-2-4-9-19)21(26)17-22(27)12-15-25(16-13-22)14-11-18-7-5-6-10-20(18)23;/h5-7,10,19,27H,2-4,8-9,11-17H2,1H3;1H
InChIKeyAWSKFCUWXNARDW-UHFFFAOYSA-N
MW429.43 g/mol
LogP4.31
Rot. Bonds6

About 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride

2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride (PubChem CID 13061493) has the molecular formula C22H34Cl2N2O2 and a molecular weight of 429.43 g/mol. Its IUPAC name is 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride
PubChem CID13061493
Molecular FormulaC22H34Cl2N2O2
Molecular Weight429.43 g/mol
Exact Mass428.20
IUPAC Name2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CC1(O)CCN(CCc2ccccc2Cl)CC1)C1CCCCC1.Cl
InChIInChI=1S/C22H33ClN2O2.ClH/c1-24(19-8-3-2-4-9-19)21(26)17-22(27)12-15-25(16-13-22)14-11-18-7-5-6-10-20(18)23;/h5-7,10,19,27H,2-4,8-9,11-17H2,1H3;1H
InChIKeyAWSKFCUWXNARDW-UHFFFAOYSA-N
XLogP4.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pipradimadol
CID 68883
Pipramadol
CID 3047849
(Z)-but-2-enedioic acid;2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide
CID 13061481
(Z)-but-2-enedioic acid;2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-prop-2-enylpropanamide
CID 54584075
2-(1-o-chlorophenethyl-4-hydroxy-4-piperidyl)-N-butylpropionamide
CID 13061551
N-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride
CID 13061483
N-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride
CID 13061485
(E)-but-2-enedioic acid;2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylhexanamide
CID 13061495
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N,3-dimethylbutanamide;hydrobromide
CID 13061497
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide
CID 13061507
(E)-but-2-enedioic acid;N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide
CID 13061516
[1-[2-(2-Chlorophenyl)ethyl]-4-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]piperidin-4-yl] propanoate
CID 13061545

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride (CID 13061493) is 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride is CN(C(=O)CC1(O)CCN(CCc2ccccc2Cl)CC1)C1CCCCC1.Cl.
What is the InChIKey of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride?
The InChIKey is AWSKFCUWXNARDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN2O2.ClH/c1-24(19-8-3-2-4-9-19)21(26)17-22(27)12-15-25(16-13-22)14-11-18-7-5-6-10-20(18)23;/h5-7,10,19,27H,2-4,8-9,11-17H2,1H3;1H.
What are the key properties of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride?
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride has a molecular weight of 429.43 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride is sourced from PubChem (CID 13061493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).