1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine

C18H28N2 — CID 60977609

IUPAC1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine
SMILESCc1ccc(CN2CCCC(C3CCCN3)C2)c(C)c1
InChIInChI=1S/C18H28N2/c1-14-7-8-16(15(2)11-14)12-20-10-4-5-17(13-20)18-6-3-9-19-18/h7-8,11,17-19H,3-6,9-10,12-13H2,1-2H3
InChIKeyJTFXPRLYXLVHTH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.27
Rot. Bonds3

About 1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine

1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine (PubChem CID 60977609) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine
PubChem CID60977609
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine
SMILESCc1ccc(CN2CCCC(C3CCCN3)C2)c(C)c1
InChIInChI=1S/C18H28N2/c1-14-7-8-16(15(2)11-14)12-20-10-4-5-17(13-20)18-6-3-9-19-18/h7-8,11,17-19H,3-6,9-10,12-13H2,1-2H3
InChIKeyJTFXPRLYXLVHTH-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine 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

(4aS,7aS)-6-[(4-chloro-2-methylphenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 113467503
(4aS,7aS)-6-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 113346131
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-methylphenol
CID 102678436
1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 102616953
1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 66156264
1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 65476831
1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 62085592
N-[[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241176
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 24904821
1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane
CID 64858807
1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968440
1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 55054099

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine (CID 60977609) is 1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine is Cc1ccc(CN2CCCC(C3CCCN3)C2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
The InChIKey is JTFXPRLYXLVHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-7-8-16(15(2)11-14)12-20-10-4-5-17(13-20)18-6-3-9-19-18/h7-8,11,17-19H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine has a molecular weight of 272.44 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 60977609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).