2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride

C28H44Cl2N2O2 — CID 54583066

IUPAC2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride
SMILESCC(C(=O)N(C1CCCCC1)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1.Cl
InChIInChI=1S/C28H43ClN2O2.ClH/c1-22(27(32)31(24-11-4-2-5-12-24)25-13-6-3-7-14-25)28(33)17-20-30(21-18-28)19-16-23-10-8-9-15-26(23)29;/h8-10,15,22,24-25,33H,2-7,11-14,16-21H2,1H3;1H
InChIKeyPQUFJUCOYXWVPI-UHFFFAOYSA-N
MW511.58 g/mol
LogP6.26
Rot. Bonds7

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

2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride (PubChem CID 54583066) has the molecular formula C28H44Cl2N2O2 and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride
PubChem CID54583066
Molecular FormulaC28H44Cl2N2O2
Molecular Weight511.58 g/mol
Exact Mass510.28
IUPAC Name2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride
SMILESCC(C(=O)N(C1CCCCC1)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1.Cl
InChIInChI=1S/C28H43ClN2O2.ClH/c1-22(27(32)31(24-11-4-2-5-12-24)25-13-6-3-7-14-25)28(33)17-20-30(21-18-28)19-16-23-10-8-9-15-26(23)29;/h8-10,15,22,24-25,33H,2-7,11-14,16-21H2,1H3;1H
InChIKeyPQUFJUCOYXWVPI-UHFFFAOYSA-N
XLogP6.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 56.26
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-(2-Chloro-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide
CID 44392082
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
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride
CID 13061493
(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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride?
The IUPAC name of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride (CID 54583066) is 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride.
What is the SMILES notation for 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride?
The canonical SMILES for 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride is CC(C(=O)N(C1CCCCC1)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1.Cl.
What is the InChIKey of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride?
The InChIKey is PQUFJUCOYXWVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43ClN2O2.ClH/c1-22(27(32)31(24-11-4-2-5-12-24)25-13-6-3-7-14-25)28(33)17-20-30(21-18-28)19-16-23-10-8-9-15-26(23)29;/h8-10,15,22,24-25,33H,2-7,11-14,16-21H2,1H3;1H.
What are the key properties of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride?
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride has a molecular weight of 511.58 g/mol, XLogP of 6.26, 7 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,N-dicyclohexylpropanamide;hydrochloride is sourced from PubChem (CID 54583066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).