(3-fluorophenyl)-piperidin-1-ylmethanone

C12H14FNO — CID 963335

IUPAC(3-fluorophenyl)-piperidin-1-ylmethanone
SMILESO=C(c1cccc(F)c1)N1CCCCC1
InChIInChI=1S/C12H14FNO/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8H2
InChIKeyCAPUTCOMJDOLLP-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.45
Rot. Bonds1

About (3-fluorophenyl)-piperidin-1-ylmethanone

(3-fluorophenyl)-piperidin-1-ylmethanone (PubChem CID 963335) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (3-fluorophenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-fluorophenyl)-piperidin-1-ylmethanone
PubChem CID963335
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(3-fluorophenyl)-piperidin-1-ylmethanone
SMILESO=C(c1cccc(F)c1)N1CCCCC1
InChIInChI=1S/C12H14FNO/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8H2
InChIKeyCAPUTCOMJDOLLP-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
(3-fluorophenyl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545753
[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347138
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721506
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-piperidin-1-ylmethanone?
The IUPAC name of (3-fluorophenyl)-piperidin-1-ylmethanone (CID 963335) is (3-fluorophenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-fluorophenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-fluorophenyl)-piperidin-1-ylmethanone is O=C(c1cccc(F)c1)N1CCCCC1.
What is the InChIKey of (3-fluorophenyl)-piperidin-1-ylmethanone?
The InChIKey is CAPUTCOMJDOLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8H2.
What are the key properties of (3-fluorophenyl)-piperidin-1-ylmethanone?
(3-fluorophenyl)-piperidin-1-ylmethanone has a molecular weight of 207.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 963335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).