4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one

C14H18ClNO — CID 12595650

IUPAC4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC(=O)CC1
InChIInChI=1S/C14H18ClNO/c1-16(2)14(9-7-13(17)8-10-14)11-3-5-12(15)6-4-11/h3-6H,7-10H2,1-2H3
InChIKeyGIPFCXTUXOTXRL-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.24
Rot. Bonds2

About 4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one

4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one (PubChem CID 12595650) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one
PubChem CID12595650
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC(=O)CC1
InChIInChI=1S/C14H18ClNO/c1-16(2)14(9-7-13(17)8-10-14)11-3-5-12(15)6-4-11/h3-6H,7-10H2,1-2H3
InChIKeyGIPFCXTUXOTXRL-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one?
The IUPAC name of 4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one (CID 12595650) is 4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one?
The canonical SMILES for 4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one is CN(C)C1(c2ccc(Cl)cc2)CCC(=O)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one?
The InChIKey is GIPFCXTUXOTXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-16(2)14(9-7-13(17)8-10-14)11-3-5-12(15)6-4-11/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one?
4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one has a molecular weight of 251.76 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one is sourced from PubChem (CID 12595650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).