4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine

C18H28N2 — CID 119930243

IUPAC4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine
SMILESc1ccc(CCC2CCCN2CC2CCNCC2)cc1
InChIInChI=1S/C18H28N2/c1-2-5-16(6-3-1)8-9-18-7-4-14-20(18)15-17-10-12-19-13-11-17/h1-3,5-6,17-19H,4,7-15H2
InChIKeyJBKPXZDIRXTASD-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.08
Rot. Bonds5

About 4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine

4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine (PubChem CID 119930243) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine
PubChem CID119930243
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine
SMILESc1ccc(CCC2CCCN2CC2CCNCC2)cc1
InChIInChI=1S/C18H28N2/c1-2-5-16(6-3-1)8-9-18-7-4-14-20(18)15-17-10-12-19-13-11-17/h1-3,5-6,17-19H,4,7-15H2
InChIKeyJBKPXZDIRXTASD-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine 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

2-phenyl-1-(piperidin-4-ylmethyl)piperidine
CID 120847720
[1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol
CID 67960833
2-benzyl-1-(cyclohexylmethyl)piperidine
CID 71326049
1-phenyl-2-(2-phenylethyl)pyrrolidine
CID 10922989
1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole
CID 95595150
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
N-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide
CID 167940137
(6R)-1-methyl-2,6-bis(2-phenylethyl)piperidine
CID 59910919
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 124867040
[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 99777092
(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine
CID 97101388

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine?
The IUPAC name of 4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine (CID 119930243) is 4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine is c1ccc(CCC2CCCN2CC2CCNCC2)cc1.
What is the InChIKey of 4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine?
The InChIKey is JBKPXZDIRXTASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-5-16(6-3-1)8-9-18-7-4-14-20(18)15-17-10-12-19-13-11-17/h1-3,5-6,17-19H,4,7-15H2.
What are the key properties of 4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine?
4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine has a molecular weight of 272.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine is sourced from PubChem (CID 119930243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).