1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone

C14H18FNO — CID 105496458

IUPAC1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CC2(F)CCNCC2)cc1
InChIInChI=1S/C14H18FNO/c1-11(17)13-4-2-12(3-5-13)10-14(15)6-8-16-9-7-14/h2-5,16H,6-10H2,1H3
InChIKeySMFCSKMMENJFGP-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.52
Rot. Bonds3

About 1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone

1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone (PubChem CID 105496458) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone
PubChem CID105496458
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CC2(F)CCNCC2)cc1
InChIInChI=1S/C14H18FNO/c1-11(17)13-4-2-12(3-5-13)10-14(15)6-8-16-9-7-14/h2-5,16H,6-10H2,1H3
InChIKeySMFCSKMMENJFGP-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone
CID 84726990
4-benzyl-4-fluoropiperidine;ethane
CID 154662481
4-fluoro-4-[(4-iodophenyl)methyl]piperidine
CID 112563230
1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone
CID 105493019
4-[(1-fluorocyclobutyl)methyl]benzoic acid
CID 84722629
4-[(1-fluorocyclooctyl)methyl]benzoic acid
CID 144590205
5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine
CID 163385935
4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid
CID 105498925
[4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine
CID 105461999
3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine
CID 83821387
1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone
CID 84727295
1-[2-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]ethanone
CID 105477596

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone (CID 105496458) is 1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone is CC(=O)c1ccc(CC2(F)CCNCC2)cc1.
What is the InChIKey of 1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone?
The InChIKey is SMFCSKMMENJFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-11(17)13-4-2-12(3-5-13)10-14(15)6-8-16-9-7-14/h2-5,16H,6-10H2,1H3.
What are the key properties of 1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone?
1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone has a molecular weight of 235.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 105496458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).