4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol

C17H23NO — CID 12711972

IUPAC4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol
SMILESC#CC1(O)CCC(c2ccc(C)cc2)(N(C)C)CC1
InChIInChI=1S/C17H23NO/c1-5-16(19)10-12-17(13-11-16,18(3)4)15-8-6-14(2)7-9-15/h1,6-9,19H,10-13H2,2-4H3
InChIKeyPGQUSPINXHINCA-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.69
Rot. Bonds2

About 4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol

4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol (PubChem CID 12711972) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol
PubChem CID12711972
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol
SMILESC#CC1(O)CCC(c2ccc(C)cc2)(N(C)C)CC1
InChIInChI=1S/C17H23NO/c1-5-16(19)10-12-17(13-11-16,18(3)4)15-8-6-14(2)7-9-15/h1,6-9,19H,10-13H2,2-4H3
InChIKeyPGQUSPINXHINCA-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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-(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-(Dimethylamino)-1-methyl-4-(4-methylphenyl)cyclohexan-1-ol
CID 12711968
3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-methylphenyl)-, (3-alpha,4-alpha,6-beta)-
CID 3078338
3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-methylphenyl)-, (3-alpha,4-beta,6-beta)-
CID 3078341
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
4-(4-Chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol
CID 12711963
4-(Dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol
CID 12711970

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol?
The IUPAC name of 4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol (CID 12711972) is 4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol is C#CC1(O)CCC(c2ccc(C)cc2)(N(C)C)CC1.
What is the InChIKey of 4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol?
The InChIKey is PGQUSPINXHINCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-5-16(19)10-12-17(13-11-16,18(3)4)15-8-6-14(2)7-9-15/h1,6-9,19H,10-13H2,2-4H3.
What are the key properties of 4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol?
4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 12711972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).