4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol

C22H29NO — CID 154131714

IUPAC4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol
SMILESCC(c1ccccc1)C1(O)CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C22H29NO/c1-18(19-10-6-4-7-11-19)22(24)16-14-21(15-17-22,23(2)3)20-12-8-5-9-13-20/h4-13,18,24H,14-17H2,1-3H3
InChIKeyYDLGKWPWLCXXET-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.55
Rot. Bonds4

About 4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol

4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol (PubChem CID 154131714) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol
PubChem CID154131714
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol
SMILESCC(c1ccccc1)C1(O)CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C22H29NO/c1-18(19-10-6-4-7-11-19)22(24)16-14-21(15-17-22,23(2)3)20-12-8-5-9-13-20/h4-13,18,24H,14-17H2,1-3H3
InChIKeyYDLGKWPWLCXXET-UHFFFAOYSA-N
XLogP4.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol?
The IUPAC name of 4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol (CID 154131714) is 4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol is CC(c1ccccc1)C1(O)CCC(c2ccccc2)(N(C)C)CC1.
What is the InChIKey of 4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol?
The InChIKey is YDLGKWPWLCXXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-18(19-10-6-4-7-11-19)22(24)16-14-21(15-17-22,23(2)3)20-12-8-5-9-13-20/h4-13,18,24H,14-17H2,1-3H3.
What are the key properties of 4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol?
4-(dimethylamino)-4-phenyl-1-(1-phenylethyl)cyclohexan-1-ol has a molecular weight of 323.48 g/mol, XLogP of 4.55, 4 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-(1-phenylethyl)cyclohexan-1-ol is sourced from PubChem (CID 154131714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).