4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride

C22H29Cl2NO — CID 10135239

IUPAC4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C22H28ClNO.ClH/c1-24(2)22(19-8-10-20(23)11-9-19)16-14-21(25,15-17-22)13-12-18-6-4-3-5-7-18;/h3-11,25H,12-17H2,1-2H3;1H
InChIKeyCOJYDVBJKLREFC-UHFFFAOYSA-N
MW394.39 g/mol
LogP5.46
Rot. Bonds5

About 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride

4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride (PubChem CID 10135239) has the molecular formula C22H29Cl2NO and a molecular weight of 394.39 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
PubChem CID10135239
Molecular FormulaC22H29Cl2NO
Molecular Weight394.39 g/mol
Exact Mass393.16
IUPAC Name4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C22H28ClNO.ClH/c1-24(2)22(19-8-10-20(23)11-9-19)16-14-21(25,15-17-22)13-12-18-6-4-3-5-7-18;/h3-11,25H,12-17H2,1-2H3;1H
InChIKeyCOJYDVBJKLREFC-UHFFFAOYSA-N
XLogP5.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.39
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol
CID 12711957
1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride
CID 118711155
4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride
CID 10157070
4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol
CID 10157071
1-[2-(4-chlorophenyl)ethyl]cyclopentan-1-ol
CID 18398262
1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol
CID 54296941
4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
CID 23105878
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 102513783
4-methyl-1-(2-phenylethyl)cycloheptan-1-ol
CID 65085385
3-(2-phenylethyl)oxetan-3-ol
CID 83683318

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride (CID 10135239) is 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride is CN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCc2ccccc2)CC1.Cl.
What is the InChIKey of 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride?
The InChIKey is COJYDVBJKLREFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO.ClH/c1-24(2)22(19-8-10-20(23)11-9-19)16-14-21(25,15-17-22)13-12-18-6-4-3-5-7-18;/h3-11,25H,12-17H2,1-2H3;1H.
What are the key properties of 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride?
4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride has a molecular weight of 394.39 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 10135239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).