1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine

C29H32N2 — CID 70272863

IUPAC1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine
SMILESC1=C(c2ccccc2)CCN(CC2CN(Cc3ccccc3)CC2c2ccccc2)C1
InChIInChI=1S/C29H32N2/c1-4-10-24(11-5-1)20-31-22-28(29(23-31)27-14-8-3-9-15-27)21-30-18-16-26(17-19-30)25-12-6-2-7-13-25/h1-16,28-29H,17-23H2
InChIKeyKTCAAJJUBXQXOA-UHFFFAOYSA-N
MW408.59 g/mol
LogP5.69
Rot. Bonds6

About 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine

1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 70272863) has the molecular formula C29H32N2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID70272863
Molecular FormulaC29H32N2
Molecular Weight408.59 g/mol
Exact Mass408.26
IUPAC Name1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine
SMILESC1=C(c2ccccc2)CCN(CC2CN(Cc3ccccc3)CC2c2ccccc2)C1
InChIInChI=1S/C29H32N2/c1-4-10-24(11-5-1)20-31-22-28(29(23-31)27-14-8-3-9-15-27)21-30-18-16-26(17-19-30)25-12-6-2-7-13-25/h1-16,28-29H,17-23H2
InChIKeyKTCAAJJUBXQXOA-UHFFFAOYSA-N
XLogP5.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 70273689
2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 70274207
1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine
CID 22116082
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 42863539
4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 22499416
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
ethyl 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate
CID 70200252
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one
CID 10015917
3-benzyl-6-phenyl-3-azabicyclo[3.2.0]heptane
CID 19963621

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine (CID 70272863) is 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine is C1=C(c2ccccc2)CCN(CC2CN(Cc3ccccc3)CC2c2ccccc2)C1.
What is the InChIKey of 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is KTCAAJJUBXQXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2/c1-4-10-24(11-5-1)20-31-22-28(29(23-31)27-14-8-3-9-15-27)21-30-18-16-26(17-19-30)25-12-6-2-7-13-25/h1-16,28-29H,17-23H2.
What are the key properties of 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 408.59 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 70272863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).