1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride

C14H18ClF2NO — CID 22068232

IUPAC1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCC1CCNCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H17F2NO.ClH/c15-11-2-3-12(13(16)9-11)14(18)4-1-10-5-7-17-8-6-10;/h2-3,9-10,17H,1,4-8H2;1H
InChIKeySVVLBQWKDCATIU-UHFFFAOYSA-N
MW289.75 g/mol
LogP3.35
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride

1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride (PubChem CID 22068232) has the molecular formula C14H18ClF2NO and a molecular weight of 289.75 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride
PubChem CID22068232
Molecular FormulaC14H18ClF2NO
Molecular Weight289.75 g/mol
Exact Mass289.10
IUPAC Name1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCC1CCNCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H17F2NO.ClH/c15-11-2-3-12(13(16)9-11)14(18)4-1-10-5-7-17-8-6-10;/h2-3,9-10,17H,1,4-8H2;1H
InChIKeySVVLBQWKDCATIU-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606153
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one
CID 114978262
2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702095
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
1-(1,4-diazepan-1-yl)-4-(2,4-difluorophenyl)butane-1,4-dione;hydrochloride
CID 119417912
1-(5-fluoro-3-pyridinyl)-3-piperidin-4-ylpropan-1-one
CID 116563479
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride
CID 21180652
(4-fluorophenyl) 3-piperidin-4-ylpropanoate
CID 117125845
N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 82016419

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride (CID 22068232) is 1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride is Cl.O=C(CCC1CCNCC1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride?
The InChIKey is SVVLBQWKDCATIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO.ClH/c15-11-2-3-12(13(16)9-11)14(18)4-1-10-5-7-17-8-6-10;/h2-3,9-10,17H,1,4-8H2;1H.
What are the key properties of 1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride?
1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride has a molecular weight of 289.75 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 22068232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).