(2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone

C19H19ClFNO — CID 24724760

IUPAC(2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CN2CCCCC2)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H19ClFNO/c20-18-12-16(21)7-8-17(18)19(23)15-6-4-5-14(11-15)13-22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10,13H2
InChIKeyBTZUMFDJTXQZGN-UHFFFAOYSA-N
MW331.82 g/mol
LogP4.70
Rot. Bonds4

About (2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone

(2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone (PubChem CID 24724760) has the molecular formula C19H19ClFNO and a molecular weight of 331.82 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
PubChem CID24724760
Molecular FormulaC19H19ClFNO
Molecular Weight331.82 g/mol
Exact Mass331.11
IUPAC Name(2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CN2CCCCC2)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H19ClFNO/c20-18-12-16(21)7-8-17(18)19(23)15-6-4-5-14(11-15)13-22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10,13H2
InChIKeyBTZUMFDJTXQZGN-UHFFFAOYSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone (CID 24724760) is (2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone is O=C(c1cccc(CN2CCCCC2)c1)c1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone?
The InChIKey is BTZUMFDJTXQZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO/c20-18-12-16(21)7-8-17(18)19(23)15-6-4-5-14(11-15)13-22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10,13H2.
What are the key properties of (2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone?
(2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone has a molecular weight of 331.82 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).