(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one

C18H28N2O — CID 103830858

IUPAC(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-2-3-9-17(19)18(21)20-12-10-16(11-13-20)14-15-7-5-4-6-8-15/h4-8,16-17H,2-3,9-14,19H2,1H3/t17-/m0/s1
InChIKeyAWKIHIODXICFJY-KRWDZBQOSA-N
MW288.44 g/mol
LogP2.99
Rot. Bonds6

About (2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one

(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one (PubChem CID 103830858) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one
PubChem CID103830858
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-2-3-9-17(19)18(21)20-12-10-16(11-13-20)14-15-7-5-4-6-8-15/h4-8,16-17H,2-3,9-14,19H2,1H3/t17-/m0/s1
InChIKeyAWKIHIODXICFJY-KRWDZBQOSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537907
(2R)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537850
2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
CID 107145977
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one
CID 60938876
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119671897
N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide
CID 42703671
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771
(2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479897
(2S)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 104984754

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one (CID 103830858) is (2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one is CCCC[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one?
The InChIKey is AWKIHIODXICFJY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-3-9-17(19)18(21)20-12-10-16(11-13-20)14-15-7-5-4-6-8-15/h4-8,16-17H,2-3,9-14,19H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one?
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one has a molecular weight of 288.44 g/mol, XLogP of 2.99, 6 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-benzylpiperidin-1-yl)hexan-1-one is sourced from PubChem (CID 103830858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).