(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone

C19H20ClNO — CID 24724302

IUPAC(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCCCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C19H20ClNO/c20-18-7-3-2-6-17(18)19(22)16-10-8-15(9-11-16)14-21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2
InChIKeyHHWNXGOEMLHMNO-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.56
Rot. Bonds4

About (2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone

(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone (PubChem CID 24724302) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
PubChem CID24724302
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCCCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C19H20ClNO/c20-18-7-3-2-6-17(18)19(22)16-10-8-15(9-11-16)14-21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2
InChIKeyHHWNXGOEMLHMNO-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

(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724584
(2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724527
(2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724285
(4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724364
[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
CID 24725308
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
(2-fluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724246
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
1-benzylazepane
CID 10954328
2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one
CID 158551228
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone (CID 24724302) is (2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCCCC2)cc1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
The InChIKey is HHWNXGOEMLHMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c20-18-7-3-2-6-17(18)19(22)16-10-8-15(9-11-16)14-21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2.
What are the key properties of (2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
(2-chlorophenyl)-[4-(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 (2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).