4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol

C22H34ClNO — CID 23105821

IUPAC4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)C1CCCCC1
InChIInChI=1S/C22H34ClNO/c1-24(2)16-20-15-18(14-17-8-10-21(23)11-9-17)12-13-22(20,25)19-6-4-3-5-7-19/h8-11,18-20,25H,3-7,12-16H2,1-2H3
InChIKeyJEWKIKSTCKRKJJ-UHFFFAOYSA-N
MW363.97 g/mol
LogP5.17
Rot. Bonds5

About 4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol

4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol (PubChem CID 23105821) has the molecular formula C22H34ClNO and a molecular weight of 363.97 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol
PubChem CID23105821
Molecular FormulaC22H34ClNO
Molecular Weight363.97 g/mol
Exact Mass363.23
IUPAC Name4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)C1CCCCC1
InChIInChI=1S/C22H34ClNO/c1-24(2)16-20-15-18(14-17-8-10-21(23)11-9-17)12-13-22(20,25)19-6-4-3-5-7-19/h8-11,18-20,25H,3-7,12-16H2,1-2H3
InChIKeyJEWKIKSTCKRKJJ-UHFFFAOYSA-N
XLogP5.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.97
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol (CID 23105821) is 4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol is CN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)C1CCCCC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The InChIKey is JEWKIKSTCKRKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClNO/c1-24(2)16-20-15-18(14-17-8-10-21(23)11-9-17)12-13-22(20,25)19-6-4-3-5-7-19/h8-11,18-20,25H,3-7,12-16H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol?
4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol has a molecular weight of 363.97 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 23105821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).