1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine

C17H26N2 — CID 116988811

IUPAC1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine
SMILESCN1CCCC(c2cccc(CC3CCCN3)c2)C1
InChIInChI=1S/C17H26N2/c1-19-10-4-7-16(13-19)15-6-2-5-14(11-15)12-17-8-3-9-18-17/h2,5-6,11,16-18H,3-4,7-10,12-13H2,1H3
InChIKeyCPXGOAFSCCFLTF-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.79
Rot. Bonds3

About 1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine

1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine (PubChem CID 116988811) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine.

Molecular Properties

Compound Name1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine
PubChem CID116988811
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine
SMILESCN1CCCC(c2cccc(CC3CCCN3)c2)C1
InChIInChI=1S/C17H26N2/c1-19-10-4-7-16(13-19)15-6-2-5-14(11-15)12-17-8-3-9-18-17/h2,5-6,11,16-18H,3-4,7-10,12-13H2,1H3
InChIKeyCPXGOAFSCCFLTF-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-[3-(pyrrolidin-2-ylmethyl)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

Related Compounds

1-methyl-3-(3-piperidin-3-ylphenyl)piperidine
CID 116988809
2-[[3-(3,3-dimethylcyclohexyl)phenyl]methyl]pyrrolidine
CID 117431700
2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine
CID 116988801
1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117434154
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine
CID 114605657
2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine
CID 117333037
2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
CID 117351207
2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine
CID 117359786
4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one
CID 117464076
2-[3-(1-methylazepan-4-yl)phenyl]ethanol
CID 117339022
1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine
CID 117333062

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine?
The IUPAC name of 1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine (CID 116988811) is 1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine.
What is the SMILES notation for 1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine?
The canonical SMILES for 1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine is CN1CCCC(c2cccc(CC3CCCN3)c2)C1.
What is the InChIKey of 1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine?
The InChIKey is CPXGOAFSCCFLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-19-10-4-7-16(13-19)15-6-2-5-14(11-15)12-17-8-3-9-18-17/h2,5-6,11,16-18H,3-4,7-10,12-13H2,1H3.
What are the key properties of 1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine?
1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine has a molecular weight of 258.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine is sourced from PubChem (CID 116988811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).