1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone

C14H17ClFNO — CID 103046618

IUPAC1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C14H17ClFNO/c1-10(18)11-3-2-6-17(8-11)9-12-7-13(15)4-5-14(12)16/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyFIECQDPTURJLTP-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.28
Rot. Bonds3

About 1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone

1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone (PubChem CID 103046618) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone
PubChem CID103046618
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C14H17ClFNO/c1-10(18)11-3-2-6-17(8-11)9-12-7-13(15)4-5-14(12)16/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyFIECQDPTURJLTP-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742520
[1-(3-Chlorobenzyl)-3-piperidinyl](2,5-difluorophenyl)methanone
CID 16189082
1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide
CID 3500831
1-(3-Chloro-4-fluorobenzoyl)-piperidin-4-one
CID 10611056
1-[(3-chlorophenyl)methyl]-N,N-diethyl-3-piperidinecarboxamide
CID 2838441
1-[(4-Chlorophenyl)methyl]piperidin-4-one
CID 10561067
1-[(3s)-1-Benzylpiperidin-3-Yl]ethanone
CID 96610405
Cambridge id 5264213
CID 2838260
Cambridge id 5268350
CID 2838553
(E)-3-(2-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]prop-2-en-1-one
CID 44475831
1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide
CID 45260342
N-(4-chloro-2-fluorobenzyl)-4-piperidinone
CID 59772554

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone (CID 103046618) is 1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone is CC(=O)C1CCCN(Cc2cc(Cl)ccc2F)C1.
What is the InChIKey of 1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone?
The InChIKey is FIECQDPTURJLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-10(18)11-3-2-6-17(8-11)9-12-7-13(15)4-5-14(12)16/h4-5,7,11H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone?
1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone has a molecular weight of 269.75 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone is sourced from PubChem (CID 103046618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).