4-(4-chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol

C17H26ClNO — CID 12711953

IUPAC4-(4-chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol
SMILESCCCC1(O)CCC(c2ccc(Cl)cc2)(N(C)C)CC1
InChIInChI=1S/C17H26ClNO/c1-4-9-16(20)10-12-17(13-11-16,19(2)3)14-5-7-15(18)8-6-14/h5-8,20H,4,9-13H2,1-3H3
InChIKeyYLEOAHZSHVYTRR-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.20
Rot. Bonds4

About 4-(4-chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol

4-(4-chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol (PubChem CID 12711953) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol
PubChem CID12711953
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name4-(4-chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol
SMILESCCCC1(O)CCC(c2ccc(Cl)cc2)(N(C)C)CC1
InChIInChI=1S/C17H26ClNO/c1-4-9-16(20)10-12-17(13-11-16,19(2)3)14-5-7-15(18)8-6-14/h5-8,20H,4,9-13H2,1-3H3
InChIKeyYLEOAHZSHVYTRR-UHFFFAOYSA-N
XLogP4.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol?
The IUPAC name of 4-(4-chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol (CID 12711953) is 4-(4-chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol?
The canonical SMILES for 4-(4-chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol is CCCC1(O)CCC(c2ccc(Cl)cc2)(N(C)C)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol?
The InChIKey is YLEOAHZSHVYTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-4-9-16(20)10-12-17(13-11-16,19(2)3)14-5-7-15(18)8-6-14/h5-8,20H,4,9-13H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol?
4-(4-chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol has a molecular weight of 295.85 g/mol, XLogP of 4.20, 4 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-propylcyclohexan-1-ol is sourced from PubChem (CID 12711953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).