(2,4-difluorophenyl)-piperidin-4-ylmethanone

C12H13F2NO — CID 13076388

IUPAC(2,4-difluorophenyl)-piperidin-4-ylmethanone
SMILESO=C(c1ccc(F)cc1F)C1CCNCC1
InChIInChI=1S/C12H13F2NO/c13-9-1-2-10(11(14)7-9)12(16)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6H2
InChIKeyWQJPGQDCLBMXMH-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.15
Rot. Bonds2

About (2,4-difluorophenyl)-piperidin-4-ylmethanone

(2,4-difluorophenyl)-piperidin-4-ylmethanone (PubChem CID 13076388) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is (2,4-difluorophenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-piperidin-4-ylmethanone
PubChem CID13076388
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2,4-difluorophenyl)-piperidin-4-ylmethanone
SMILESO=C(c1ccc(F)cc1F)C1CCNCC1
InChIInChI=1S/C12H13F2NO/c13-9-1-2-10(11(14)7-9)12(16)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6H2
InChIKeyWQJPGQDCLBMXMH-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Melperone
CID 15387
Lenperone
CID 32593
Melperone hydrochloride
CID 9926325
DuP 734
CID 121967
4-(4-Fluorobenzoyl)piperidine
CID 2724440
1-Phenyl-5-(piperidin-1-yl)pentan-1-one
CID 262634
Phenyl(piperidin-4-yl)methanone
CID 226102
Buronil
CID 15386
4-Fluoromethcathinone
CID 49853406
3'-Fluoromethcathinone
CID 53415330
4-(4-Methylbenzoyl)piperidine hydrochloride
CID 2740817
Primaperone
CID 14641

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-piperidin-4-ylmethanone?
The IUPAC name of (2,4-difluorophenyl)-piperidin-4-ylmethanone (CID 13076388) is (2,4-difluorophenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (2,4-difluorophenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (2,4-difluorophenyl)-piperidin-4-ylmethanone is O=C(c1ccc(F)cc1F)C1CCNCC1.
What is the InChIKey of (2,4-difluorophenyl)-piperidin-4-ylmethanone?
The InChIKey is WQJPGQDCLBMXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-9-1-2-10(11(14)7-9)12(16)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6H2.
What are the key properties of (2,4-difluorophenyl)-piperidin-4-ylmethanone?
(2,4-difluorophenyl)-piperidin-4-ylmethanone has a molecular weight of 225.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 13076388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).