1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone

C15H22N2O2 — CID 51360996

IUPAC1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone
SMILESCN[C@H]1C[C@@H](c2ccccc2)N(C(C)=O)C[C@H]1CO
InChIInChI=1S/C15H22N2O2/c1-11(19)17-9-13(10-18)14(16-2)8-15(17)12-6-4-3-5-7-12/h3-7,13-16,18H,8-10H2,1-2H3/t13-,14-,15-/m0/s1
InChIKeyBDPOXZHPBIVRIM-KKUMJFAQSA-N
MW262.35 g/mol
LogP1.18
Rot. Bonds3

About 1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone

1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone (PubChem CID 51360996) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone
PubChem CID51360996
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone
SMILESCN[C@H]1C[C@@H](c2ccccc2)N(C(C)=O)C[C@H]1CO
InChIInChI=1S/C15H22N2O2/c1-11(19)17-9-13(10-18)14(16-2)8-15(17)12-6-4-3-5-7-12/h3-7,13-16,18H,8-10H2,1-2H3/t13-,14-,15-/m0/s1
InChIKeyBDPOXZHPBIVRIM-KKUMJFAQSA-N
XLogP1.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone (CID 51360996) is 1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone is CN[C@H]1C[C@@H](c2ccccc2)N(C(C)=O)C[C@H]1CO.
What is the InChIKey of 1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone?
The InChIKey is BDPOXZHPBIVRIM-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(19)17-9-13(10-18)14(16-2)8-15(17)12-6-4-3-5-7-12/h3-7,13-16,18H,8-10H2,1-2H3/t13-,14-,15-/m0/s1.
What are the key properties of 1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone?
1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S,5R)-5-(hydroxymethyl)-4-(methylamino)-2-phenylpiperidin-1-yl]ethanone is sourced from PubChem (CID 51360996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).