(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone

C19H20ClNO — CID 24724741

IUPAC(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Cl)c1)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C19H20ClNO/c20-18-9-5-8-17(13-18)19(22)16-7-4-6-15(12-16)14-21-10-2-1-3-11-21/h4-9,12-13H,1-3,10-11,14H2
InChIKeyAFZGZTFPZKDHAF-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.56
Rot. Bonds4

About (3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone

(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone (PubChem CID 24724741) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
PubChem CID24724741
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Cl)c1)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C19H20ClNO/c20-18-9-5-8-17(13-18)19(22)16-7-4-6-15(12-16)14-21-10-2-1-3-11-21/h4-9,12-13H,1-3,10-11,14H2
InChIKeyAFZGZTFPZKDHAF-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724818
[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24724838
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724806
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
[3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 24724815
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724704
4-[3-(azetidin-1-ylmethyl)benzoyl]benzonitrile
CID 24724847

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone (CID 24724741) is (3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone is O=C(c1cccc(Cl)c1)c1cccc(CN2CCCCC2)c1.
What is the InChIKey of (3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone?
The InChIKey is AFZGZTFPZKDHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c20-18-9-5-8-17(13-18)19(22)16-7-4-6-15(12-16)14-21-10-2-1-3-11-21/h4-9,12-13H,1-3,10-11,14H2.
What are the key properties of (3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone?
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone has a molecular weight of 313.83 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).