3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one

C20H23FN2O — CID 119952236

IUPAC3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESNC(CC(=O)N1CCCCC1c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H23FN2O/c21-17-11-9-16(10-12-17)19-8-4-5-13-23(19)20(24)14-18(22)15-6-2-1-3-7-15/h1-3,6-7,9-12,18-19H,4-5,8,13-14,22H2
InChIKeyBLLIESUHVLHONO-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.97
Rot. Bonds4

About 3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one

3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 119952236) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID119952236
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESNC(CC(=O)N1CCCCC1c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H23FN2O/c21-17-11-9-16(10-12-17)19-8-4-5-13-23(19)20(24)14-18(22)15-6-2-1-3-7-15/h1-3,6-7,9-12,18-19H,4-5,8,13-14,22H2
InChIKeyBLLIESUHVLHONO-UHFFFAOYSA-N
XLogP3.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949824
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
(3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one
CID 125120184
1-(3-amino-3-phenylpropanoyl)azepane-2-carboxylic acid
CID 64561727
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119951145
3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119950579
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107217788
(3R)-3-amino-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124700162
(3S)-3-amino-1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124702264
3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one
CID 124890583
7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119810095
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one (CID 119952236) is 3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one is NC(CC(=O)N1CCCCC1c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is BLLIESUHVLHONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-17-11-9-16(10-12-17)19-8-4-5-13-23(19)20(24)14-18(22)15-6-2-1-3-7-15/h1-3,6-7,9-12,18-19H,4-5,8,13-14,22H2.
What are the key properties of 3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one?
3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 326.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119952236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).