(3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine

C23H32N4 — CID 120770206

IUPAC(3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine
SMILESCCN1CCN(c2ccccc2CN2C[C@@H](N)[C@H](c3ccccc3)C2)CC1
InChIInChI=1S/C23H32N4/c1-2-25-12-14-27(15-13-25)23-11-7-6-10-20(23)16-26-17-21(22(24)18-26)19-8-4-3-5-9-19/h3-11,21-22H,2,12-18,24H2,1H3/t21-,22+/m0/s1
InChIKeyNDNRBSBEKJGRAG-FCHUYYIVSA-N
MW364.54 g/mol
LogP2.76
Rot. Bonds5

About (3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine

(3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120770206) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is (3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine
PubChem CID120770206
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC Name(3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine
SMILESCCN1CCN(c2ccccc2CN2C[C@@H](N)[C@H](c3ccccc3)C2)CC1
InChIInChI=1S/C23H32N4/c1-2-25-12-14-27(15-13-25)23-11-7-6-10-20(23)16-26-17-21(22(24)18-26)19-8-4-3-5-9-19/h3-11,21-22H,2,12-18,24H2,1H3/t21-,22+/m0/s1
InChIKeyNDNRBSBEKJGRAG-FCHUYYIVSA-N
XLogP2.76
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770365
(3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770437
(3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770314
(3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770244
(3S,4R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770420
(3S,4R)-1-[(5-chloro-2-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770008
(3S,4R)-4-phenyl-1-[(2-prop-2-enoxyphenyl)methyl]pyrrolidin-3-amine
CID 120769958
(3S,4R)-1-(1,3-benzodioxol-4-ylmethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770550
N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63060169
(3S,4R)-1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770405
(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770086
(3S,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770144

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine (CID 120770206) is (3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine is CCN1CCN(c2ccccc2CN2C[C@@H](N)[C@H](c3ccccc3)C2)CC1.
What is the InChIKey of (3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is NDNRBSBEKJGRAG-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H32N4/c1-2-25-12-14-27(15-13-25)23-11-7-6-10-20(23)16-26-17-21(22(24)18-26)19-8-4-3-5-9-19/h3-11,21-22H,2,12-18,24H2,1H3/t21-,22+/m0/s1.
What are the key properties of (3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 364.54 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120770206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).