4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol

C17H23NO — CID 57475158

IUPAC4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol
SMILESCC#CC1(O)CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C17H23NO/c1-4-10-16(19)11-13-17(14-12-16,18(2)3)15-8-6-5-7-9-15/h5-9,19H,11-14H2,1-3H3
InChIKeyNAHCXYFQDMQDJN-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.77
Rot. Bonds2

About 4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol

4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol (PubChem CID 57475158) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol
PubChem CID57475158
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol
SMILESCC#CC1(O)CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C17H23NO/c1-4-10-16(19)11-13-17(14-12-16,18(2)3)15-8-6-5-7-9-15/h5-9,19H,11-14H2,1-3H3
InChIKeyNAHCXYFQDMQDJN-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-Phenyl-4-(1-piperidinyl)cyclohexanol
CID 162171
4-(Dimethylamino)-1,4-diphenylcyclohexan-1-ol
CID 66911347
4-(Dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
CID 10109139
4-(Dimethylamino)-4-(4-methylphenyl)-1-phenylcyclohexan-1-ol
CID 134134392
1-Benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride
CID 118711155
4-Dimethylamino-4-phenylcyclohexanol
CID 11148709
4-(p-Chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol
CID 12711949
4-(Dimethylamino)-1-methyl-4-(4-methylphenyl)cyclohexan-1-ol
CID 12711968
4-(Dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol
CID 12711972
4-(4-Chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol
CID 12711951
4-(4-Chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol
CID 12711953
1-But-3-enyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol
CID 12711961

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol?
The IUPAC name of 4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol (CID 57475158) is 4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol?
The canonical SMILES for 4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol is CC#CC1(O)CCC(c2ccccc2)(N(C)C)CC1.
What is the InChIKey of 4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol?
The InChIKey is NAHCXYFQDMQDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-10-16(19)11-13-17(14-12-16,18(2)3)15-8-6-5-7-9-15/h5-9,19H,11-14H2,1-3H3.
What are the key properties of 4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol?
4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-phenyl-1-prop-1-ynylcyclohexan-1-ol is sourced from PubChem (CID 57475158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).