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

C24H34ClNO — CID 10157070

IUPAC4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride
SMILESCN(C)C1(CCc2ccccc2)CCC(O)(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C24H33NO.ClH/c1-25(2)23(15-13-21-9-5-3-6-10-21)17-19-24(26,20-18-23)16-14-22-11-7-4-8-12-22;/h3-12,26H,13-20H2,1-2H3;1H
InChIKeyWPQQMVINQPGSTJ-UHFFFAOYSA-N
MW388.00 g/mol
LogP5.28
Rot. Bonds7

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

4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride (PubChem CID 10157070) has the molecular formula C24H34ClNO and a molecular weight of 388.00 g/mol. Its IUPAC name is 4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride
PubChem CID10157070
Molecular FormulaC24H34ClNO
Molecular Weight388.00 g/mol
Exact Mass387.23
IUPAC Name4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride
SMILESCN(C)C1(CCc2ccccc2)CCC(O)(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C24H33NO.ClH/c1-25(2)23(15-13-21-9-5-3-6-10-21)17-19-24(26,20-18-23)16-14-22-11-7-4-8-12-22;/h3-12,26H,13-20H2,1-2H3;1H
InChIKeyWPQQMVINQPGSTJ-UHFFFAOYSA-N
XLogP5.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.00
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol
CID 10157071
N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 102513783
4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
CID 10135239
1-methyl-4-(2-phenylethyl)piperidin-4-ol
CID 10751359
1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride
CID 118711155
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
1-(2-phenylethyl)cyclopent-3-en-1-ol
CID 139771599
4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol
CID 12711957
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
4-methyl-1-(2-phenylethyl)cycloheptan-1-ol
CID 65085385
3-(2-phenylethyl)oxetan-3-ol
CID 83683318
1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
CID 62668960

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride?
The IUPAC name of 4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride (CID 10157070) is 4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride is CN(C)C1(CCc2ccccc2)CCC(O)(CCc2ccccc2)CC1.Cl.
What is the InChIKey of 4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride?
The InChIKey is WPQQMVINQPGSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO.ClH/c1-25(2)23(15-13-21-9-5-3-6-10-21)17-19-24(26,20-18-23)16-14-22-11-7-4-8-12-22;/h3-12,26H,13-20H2,1-2H3;1H.
What are the key properties of 4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride?
4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride has a molecular weight of 388.00 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 10157070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).