1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one

C14H18ClFN2O — CID 158477612

IUPAC1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(F)(c2cncc(Cl)c2)CC1
InChIInChI=1S/C14H18ClFN2O/c1-2-3-13(19)18-6-4-14(16,5-7-18)11-8-12(15)10-17-9-11/h8-10H,2-7H2,1H3
InChIKeyHHCYFIIECRBTPA-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.32
Rot. Bonds3

About 1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one

1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one (PubChem CID 158477612) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one
PubChem CID158477612
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(F)(c2cncc(Cl)c2)CC1
InChIInChI=1S/C14H18ClFN2O/c1-2-3-13(19)18-6-4-14(16,5-7-18)11-8-12(15)10-17-9-11/h8-10H,2-7H2,1H3
InChIKeyHHCYFIIECRBTPA-UHFFFAOYSA-N
XLogP3.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-fluoro-4-[2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]butan-1-one
CID 159081913
1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 158037384
1-(4,4-difluoropiperidin-1-yl)butan-1-one;3-methylbutan-2-ol
CID 164604907
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
1-(4-amino-4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 130718845
1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 123381953
1-[4-(5-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817392
1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 166113245
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
1-[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 20962456
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 84550235

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one (CID 158477612) is 1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(F)(c2cncc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one?
The InChIKey is HHCYFIIECRBTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-2-3-13(19)18-6-4-14(16,5-7-18)11-8-12(15)10-17-9-11/h8-10H,2-7H2,1H3.
What are the key properties of 1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one?
1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one has a molecular weight of 284.76 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one is sourced from PubChem (CID 158477612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).