1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride

C21H28ClNO — CID 118711155

IUPAC1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(O)(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-22(2)21(19-11-7-4-8-12-19)15-13-20(23,14-16-21)17-18-9-5-3-6-10-18;/h3-12,23H,13-17H2,1-2H3;1H
InChIKeyGYHBBZQJMQAXEE-UHFFFAOYSA-N
MW345.91 g/mol
LogP4.41
Rot. Bonds4

About 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride

1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride (PubChem CID 118711155) has the molecular formula C21H28ClNO and a molecular weight of 345.91 g/mol. Its IUPAC name is 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride
PubChem CID118711155
Molecular FormulaC21H28ClNO
Molecular Weight345.91 g/mol
Exact Mass345.19
IUPAC Name1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(O)(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-22(2)21(19-11-7-4-8-12-19)15-13-20(23,14-16-21)17-18-9-5-3-6-10-18;/h3-12,23H,13-17H2,1-2H3;1H
InChIKeyGYHBBZQJMQAXEE-UHFFFAOYSA-N
XLogP4.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.91
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
CID 10135239
4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol
CID 12711957
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
4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol
CID 154131714
1-[[4-[2-(dimethylamino)ethyl]phenyl]methyl]cyclopropan-1-ol
CID 117313193
1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid
CID 130202617
9-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-ol
CID 118113177
3-benzylazetidin-3-ol;hydrochloride
CID 67974163
4-benzyl-1-phenylpiperidin-4-ol
CID 106820760
1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride
CID 68895646
(NZ)-N-[[4-(dimethylamino)-1-methyl-4-phenylcyclohexyl]methylidene]hydroxylamine
CID 87523816

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride (CID 118711155) is 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride is CN(C)C1(c2ccccc2)CCC(O)(Cc2ccccc2)CC1.Cl.
What is the InChIKey of 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride?
The InChIKey is GYHBBZQJMQAXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.ClH/c1-22(2)21(19-11-7-4-8-12-19)15-13-20(23,14-16-21)17-18-9-5-3-6-10-18;/h3-12,23H,13-17H2,1-2H3;1H.
What are the key properties of 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride?
1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride has a molecular weight of 345.91 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 118711155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).