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

C24H32N2 — CID 57328076

IUPAC1-[[4-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]piperidine
SMILESC[C@H]1CCCN1Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C24H32N2/c1-20-6-5-17-26(20)19-22-9-13-24(14-10-22)23-11-7-21(8-12-23)18-25-15-3-2-4-16-25/h7-14,20H,2-6,15-19H2,1H3/t20-/m0/s1
InChIKeyCYEHQNDZHVQYCV-FQEVSTJZSA-N
MW348.53 g/mol
LogP5.32
Rot. Bonds5

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

1-[[4-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]piperidine (PubChem CID 57328076) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 1-[[4-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]piperidine
PubChem CID57328076
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name1-[[4-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]piperidine
SMILESC[C@H]1CCCN1Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C24H32N2/c1-20-6-5-17-26(20)19-22-9-13-24(14-10-22)23-11-7-21(8-12-23)18-25-15-3-2-4-16-25/h7-14,20H,2-6,15-19H2,1H3/t20-/m0/s1
InChIKeyCYEHQNDZHVQYCV-FQEVSTJZSA-N
XLogP5.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]piperidine?
The IUPAC name of 1-[[4-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]piperidine (CID 57328076) is 1-[[4-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[4-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]piperidine?
The canonical SMILES for 1-[[4-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]piperidine is C[C@H]1CCCN1Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[[4-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]piperidine?
The InChIKey is CYEHQNDZHVQYCV-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N2/c1-20-6-5-17-26(20)19-22-9-13-24(14-10-22)23-11-7-21(8-12-23)18-25-15-3-2-4-16-25/h7-14,20H,2-6,15-19H2,1H3/t20-/m0/s1.
What are the key properties of 1-[[4-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]piperidine?
1-[[4-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]piperidine has a molecular weight of 348.53 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]piperidine is sourced from PubChem (CID 57328076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).