(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine

C21H28N2 — CID 22689597

IUPAC(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
SMILESN[C@@H](Cc1ccccc1)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2/c22-21(16-19-9-5-2-6-10-19)17-23-13-11-20(12-14-23)15-18-7-3-1-4-8-18/h1-10,20-21H,11-17,22H2/t21-/m0/s1
InChIKeyJEWCBWGBAUDVKK-NRFANRHFSA-N
MW308.47 g/mol
LogP3.51
Rot. Bonds6

About (2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine

(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine (PubChem CID 22689597) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
PubChem CID22689597
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
SMILESN[C@@H](Cc1ccccc1)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2/c22-21(16-19-9-5-2-6-10-19)17-23-13-11-20(12-14-23)15-18-7-3-1-4-8-18/h1-10,20-21H,11-17,22H2/t21-/m0/s1
InChIKeyJEWCBWGBAUDVKK-NRFANRHFSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine?
The IUPAC name of (2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine (CID 22689597) is (2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine.
What is the SMILES notation for (2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine?
The canonical SMILES for (2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine is N[C@@H](Cc1ccccc1)CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine?
The InChIKey is JEWCBWGBAUDVKK-NRFANRHFSA-N. The full InChI is InChI=1S/C21H28N2/c22-21(16-19-9-5-2-6-10-19)17-23-13-11-20(12-14-23)15-18-7-3-1-4-8-18/h1-10,20-21H,11-17,22H2/t21-/m0/s1.
What are the key properties of (2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine?
(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine has a molecular weight of 308.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine is sourced from PubChem (CID 22689597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).