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

C16H23FN2O2 — CID 125120184

IUPAC(3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one
SMILESCO[C@H](CN)CC(=O)N1CCCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-21-14(11-18)10-16(20)19-9-3-2-4-15(19)12-5-7-13(17)8-6-12/h5-8,14-15H,2-4,9-11,18H2,1H3/t14-,15-/m0/s1
InChIKeyKVSIMGUEDMSHJD-GJZGRUSLSA-N
MW294.37 g/mol
LogP2.24
Rot. Bonds5

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

(3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one (PubChem CID 125120184) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is (3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one.

Molecular Properties

Compound Name(3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one
PubChem CID125120184
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name(3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one
SMILESCO[C@H](CN)CC(=O)N1CCCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-21-14(11-18)10-16(20)19-9-3-2-4-15(19)12-5-7-13(17)8-6-12/h5-8,14-15H,2-4,9-11,18H2,1H3/t14-,15-/m0/s1
InChIKeyKVSIMGUEDMSHJD-GJZGRUSLSA-N
XLogP2.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one
CID 120592294
4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120592293
4-amino-3-methoxy-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120597000
4-amino-3-methoxy-1-[2-(3-methylphenyl)azepan-1-yl]butan-1-one
CID 120592694
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119952236
7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119810095
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one
CID 124890583
4-amino-1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 120593188
4-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120589943
4-amino-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 120587380

Frequently Asked Questions

What is the IUPAC name of (3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one?
The IUPAC name of (3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one (CID 125120184) is (3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one.
What is the SMILES notation for (3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one?
The canonical SMILES for (3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one is CO[C@H](CN)CC(=O)N1CCCC[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one?
The InChIKey is KVSIMGUEDMSHJD-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-21-14(11-18)10-16(20)19-9-3-2-4-15(19)12-5-7-13(17)8-6-12/h5-8,14-15H,2-4,9-11,18H2,1H3/t14-,15-/m0/s1.
What are the key properties of (3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one?
(3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one has a molecular weight of 294.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one is sourced from PubChem (CID 125120184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).