Methanone, (3,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1)

C12H14ClF2NO — CID 46738056

IUPAC(3,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride
SMILESC1CNCCC1C(=O)C2=CC(=C(C=C2)F)F.Cl
InChIInChI=1S/C12H13F2NO.ClH/c13-10-2-1-9(7-11(10)14)12(16)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2;1H
InChIKeyIPNJNEPAHFKDLB-UHFFFAOYSA-N
MW261.69 g/mol
LogP—
Rot. Bonds2

About Methanone, (3,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1)

Methanone, (3,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1) (PubChem CID 46738056) has the molecular formula C12H14ClF2NO and a molecular weight of 261.69 g/mol. Its IUPAC name is (3,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound NameMethanone, (3,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1)
PubChem CID46738056
Molecular FormulaC12H14ClF2NO
Molecular Weight261.69 g/mol
Exact Mass261.07
IUPAC Name(3,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride
SMILESC1CNCCC1C(=O)C2=CC(=C(C=C2)F)F.Cl
InChIInChI=1S/C12H13F2NO.ClH/c13-10-2-1-9(7-11(10)14)12(16)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2;1H
InChIKeyIPNJNEPAHFKDLB-UHFFFAOYSA-N
XLogP—
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity253

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Melperone
CID 15387
Lenperone
CID 32593
Melperone hydrochloride
CID 9926325
DuP 734
CID 121967
3-Piperidinopropiophenone hydrochloride
CID 70171
4-(4-Fluorobenzoyl)piperidine
CID 2724440
Phenyl(piperidin-4-yl)methanone
CID 226102
Buronil
CID 15386
1-(4-Phenyl-4-piperidyl)propan-1-one hydrochloride
CID 197939
4-Fluoromethcathinone
CID 49853406
3'-Fluoromethcathinone
CID 53415330
4-(4-Methylbenzoyl)piperidine hydrochloride
CID 2740817

Frequently Asked Questions

What is the IUPAC name of Methanone, (3,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1)?
The IUPAC name of Methanone, (3,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1) (CID 46738056) is (3,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for Methanone, (3,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1)?
The canonical SMILES for Methanone, (3,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1) is C1CNCCC1C(=O)C2=CC(=C(C=C2)F)F.Cl.
What is the InChIKey of Methanone, (3,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1)?
The InChIKey is IPNJNEPAHFKDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO.ClH/c13-10-2-1-9(7-11(10)14)12(16)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2;1H.
What are the key properties of Methanone, (3,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1)?
Methanone, (3,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1) has a molecular weight of 261.69 g/mol, XLogP of not available, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Methanone, (3,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1) is sourced from PubChem (CID 46738056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).