4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine

C23H30N2 — CID 11638569

IUPAC4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine
SMILESC[C@@H](c1ccc(-c2ccc(C3CCNCC3)cc2)cc1)N1CCCC1
InChIInChI=1S/C23H30N2/c1-18(25-16-2-3-17-25)19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24-15-13-23/h4-11,18,23-24H,2-3,12-17H2,1H3/t18-/m0/s1
InChIKeyXFVYWNHZMVXXLN-SFHVURJKSA-N
MW334.51 g/mol
LogP4.98
Rot. Bonds4

About 4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine

4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine (PubChem CID 11638569) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine.

Molecular Properties

Compound Name4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine
PubChem CID11638569
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine
SMILESC[C@@H](c1ccc(-c2ccc(C3CCNCC3)cc2)cc1)N1CCCC1
InChIInChI=1S/C23H30N2/c1-18(25-16-2-3-17-25)19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24-15-13-23/h4-11,18,23-24H,2-3,12-17H2,1H3/t18-/m0/s1
InChIKeyXFVYWNHZMVXXLN-SFHVURJKSA-N
XLogP4.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine?
The IUPAC name of 4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine (CID 11638569) is 4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine.
What is the SMILES notation for 4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine?
The canonical SMILES for 4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine is C[C@@H](c1ccc(-c2ccc(C3CCNCC3)cc2)cc1)N1CCCC1.
What is the InChIKey of 4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine?
The InChIKey is XFVYWNHZMVXXLN-SFHVURJKSA-N. The full InChI is InChI=1S/C23H30N2/c1-18(25-16-2-3-17-25)19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24-15-13-23/h4-11,18,23-24H,2-3,12-17H2,1H3/t18-/m0/s1.
What are the key properties of 4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine?
4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine has a molecular weight of 334.51 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidine is sourced from PubChem (CID 11638569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).