(4S)-4-amino-3-benzylpiperidin-2-one

C12H16N2O — CID 70085513

IUPAC(4S)-4-amino-3-benzylpiperidin-2-one
SMILESN[C@H]1CCNC(=O)C1Cc1ccccc1
InChIInChI=1S/C12H16N2O/c13-11-6-7-14-12(15)10(11)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,14,15)/t10?,11-/m0/s1
InChIKeyDANSSGUVSGAEAM-DTIOYNMSSA-N
MW204.27 g/mol
LogP0.69
Rot. Bonds2

About (4S)-4-amino-3-benzylpiperidin-2-one

(4S)-4-amino-3-benzylpiperidin-2-one (PubChem CID 70085513) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (4S)-4-amino-3-benzylpiperidin-2-one.

Molecular Properties

Compound Name(4S)-4-amino-3-benzylpiperidin-2-one
PubChem CID70085513
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(4S)-4-amino-3-benzylpiperidin-2-one
SMILESN[C@H]1CCNC(=O)C1Cc1ccccc1
InChIInChI=1S/C12H16N2O/c13-11-6-7-14-12(15)10(11)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,14,15)/t10?,11-/m0/s1
InChIKeyDANSSGUVSGAEAM-DTIOYNMSSA-N
XLogP0.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-3-benzylpiperidin-2-one?
The IUPAC name of (4S)-4-amino-3-benzylpiperidin-2-one (CID 70085513) is (4S)-4-amino-3-benzylpiperidin-2-one.
What is the SMILES notation for (4S)-4-amino-3-benzylpiperidin-2-one?
The canonical SMILES for (4S)-4-amino-3-benzylpiperidin-2-one is N[C@H]1CCNC(=O)C1Cc1ccccc1.
What is the InChIKey of (4S)-4-amino-3-benzylpiperidin-2-one?
The InChIKey is DANSSGUVSGAEAM-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-6-7-14-12(15)10(11)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,14,15)/t10?,11-/m0/s1.
What are the key properties of (4S)-4-amino-3-benzylpiperidin-2-one?
(4S)-4-amino-3-benzylpiperidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-3-benzylpiperidin-2-one is sourced from PubChem (CID 70085513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).