1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine

C31H38N2 — CID 57328079

IUPAC1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine
SMILESC[C@@H]1CCCN1Cc1ccc(-c2ccc(C(Cc3ccccc3)N3CCCCC3)cc2)cc1
InChIInChI=1S/C31H38N2/c1-25-9-8-22-33(25)24-27-12-14-28(15-13-27)29-16-18-30(19-17-29)31(32-20-6-3-7-21-32)23-26-10-4-2-5-11-26/h2,4-5,10-19,25,31H,3,6-9,20-24H2,1H3/t25-,31?/m1/s1
InChIKeyYCRYTSLKCPSJNF-KZQYXEPFSA-N
MW438.66 g/mol
LogP7.11
Rot. Bonds7

About 1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine

1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine (PubChem CID 57328079) has the molecular formula C31H38N2 and a molecular weight of 438.66 g/mol. Its IUPAC name is 1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine.

Molecular Properties

Compound Name1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine
PubChem CID57328079
Molecular FormulaC31H38N2
Molecular Weight438.66 g/mol
Exact Mass438.30
IUPAC Name1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine
SMILESC[C@@H]1CCCN1Cc1ccc(-c2ccc(C(Cc3ccccc3)N3CCCCC3)cc2)cc1
InChIInChI=1S/C31H38N2/c1-25-9-8-22-33(25)24-27-12-14-28(15-13-27)29-16-18-30(19-17-29)31(32-20-6-3-7-21-32)23-26-10-4-2-5-11-26/h2,4-5,10-19,25,31H,3,6-9,20-24H2,1H3/t25-,31?/m1/s1
InChIKeyYCRYTSLKCPSJNF-KZQYXEPFSA-N
XLogP7.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine?
The IUPAC name of 1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine (CID 57328079) is 1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine.
What is the SMILES notation for 1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine?
The canonical SMILES for 1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine is C[C@@H]1CCCN1Cc1ccc(-c2ccc(C(Cc3ccccc3)N3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine?
The InChIKey is YCRYTSLKCPSJNF-KZQYXEPFSA-N. The full InChI is InChI=1S/C31H38N2/c1-25-9-8-22-33(25)24-27-12-14-28(15-13-27)29-16-18-30(19-17-29)31(32-20-6-3-7-21-32)23-26-10-4-2-5-11-26/h2,4-5,10-19,25,31H,3,6-9,20-24H2,1H3/t25-,31?/m1/s1.
What are the key properties of 1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine?
1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine has a molecular weight of 438.66 g/mol, XLogP of 7.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]-2-phenylethyl]piperidine is sourced from PubChem (CID 57328079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).