1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine

C29H35N3 — CID 11661832

IUPAC1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine
SMILESc1ccc(CN2CC(CN3CCC(c4ccccc4)CC3)C(Nc3ccccc3)C2)cc1
InChIInChI=1S/C29H35N3/c1-4-10-24(11-5-1)20-32-22-27(29(23-32)30-28-14-8-3-9-15-28)21-31-18-16-26(17-19-31)25-12-6-2-7-13-25/h1-15,26-27,29-30H,16-23H2
InChIKeyXEYCGADQZOHPGG-UHFFFAOYSA-N
MW425.62 g/mol
LogP5.48
Rot. Bonds7

About 1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine

1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine (PubChem CID 11661832) has the molecular formula C29H35N3 and a molecular weight of 425.62 g/mol. Its IUPAC name is 1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine
PubChem CID11661832
Molecular FormulaC29H35N3
Molecular Weight425.62 g/mol
Exact Mass425.28
IUPAC Name1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine
SMILESc1ccc(CN2CC(CN3CCC(c4ccccc4)CC3)C(Nc3ccccc3)C2)cc1
InChIInChI=1S/C29H35N3/c1-4-10-24(11-5-1)20-32-22-27(29(23-32)30-28-14-8-3-9-15-28)21-31-18-16-26(17-19-31)25-12-6-2-7-13-25/h1-15,26-27,29-30H,16-23H2
InChIKeyXEYCGADQZOHPGG-UHFFFAOYSA-N
XLogP5.48
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine (CID 11661832) is 1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine is c1ccc(CN2CC(CN3CCC(c4ccccc4)CC3)C(Nc3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine?
The InChIKey is XEYCGADQZOHPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3/c1-4-10-24(11-5-1)20-32-22-27(29(23-32)30-28-14-8-3-9-15-28)21-31-18-16-26(17-19-31)25-12-6-2-7-13-25/h1-15,26-27,29-30H,16-23H2.
What are the key properties of 1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine?
1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine has a molecular weight of 425.62 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 11661832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).