(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one

C15H22N2O — CID 79024088

IUPAC(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c1-2-14(16)15(18)17-10-8-13(9-11-17)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,16H2,1H3/t14-/m0/s1
InChIKeyWILOIWBKFBUKSL-AWEZNQCLSA-N
MW246.35 g/mol
LogP2.13
Rot. Bonds3

About (2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one

(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one (PubChem CID 79024088) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
PubChem CID79024088
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c1-2-14(16)15(18)17-10-8-13(9-11-17)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,16H2,1H3/t14-/m0/s1
InChIKeyWILOIWBKFBUKSL-AWEZNQCLSA-N
XLogP2.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
CID 79023414
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
2-amino-1-(4-phenylazepan-1-yl)pentan-1-one
CID 119316138
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 61165041
(2S)-2-amino-4-methyl-1-(4-phenylazepan-1-yl)pentan-1-one;hydrochloride
CID 119770865
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
CID 65229548
2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 81088436
2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 13249816
(2S)-2-amino-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-one
CID 79023936
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one (CID 79024088) is (2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one is CC[C@H](N)C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one?
The InChIKey is WILOIWBKFBUKSL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-14(16)15(18)17-10-8-13(9-11-17)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,16H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one?
(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 79024088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).