3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one

C16H23FN2O — CID 119767330

IUPAC3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-12(18)10-16(20)19-8-6-14(7-9-19)11-13-2-4-15(17)5-3-13/h2-5,12,14H,6-11,18H2,1H3
InChIKeyFYLBUEPLETXMCQ-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.34
Rot. Bonds4

About 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one

3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one (PubChem CID 119767330) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
PubChem CID119767330
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-12(18)10-16(20)19-8-6-14(7-9-19)11-13-2-4-15(17)5-3-13/h2-5,12,14H,6-11,18H2,1H3
InChIKeyFYLBUEPLETXMCQ-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 136526783
(2S)-2-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxypropan-1-one
CID 70755897
4-amino-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 120592458
(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95301170
N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride
CID 119709967
3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678794
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-methyl-3-methylsulfonylpropan-1-one
CID 84585639
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672
methyl N-[(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 97187729
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 2362965

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one (CID 119767330) is 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one is CC(N)CC(=O)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one?
The InChIKey is FYLBUEPLETXMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12(18)10-16(20)19-8-6-14(7-9-19)11-13-2-4-15(17)5-3-13/h2-5,12,14H,6-11,18H2,1H3.
What are the key properties of 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one?
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one has a molecular weight of 278.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 119767330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).