4-benzyl-1-methylpiperidine;ethane

C15H25N — CID 142009767

IUPAC4-benzyl-1-methylpiperidine;ethane
SMILESCC.CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C13H19N.C2H6/c1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-2/h2-6,13H,7-11H2,1H3;1-2H3
InChIKeyIYFXMDOOYNPMQB-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.60
Rot. Bonds2

About 4-benzyl-1-methylpiperidine;ethane

4-benzyl-1-methylpiperidine;ethane (PubChem CID 142009767) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-benzyl-1-methylpiperidine;ethane.

Molecular Properties

Compound Name4-benzyl-1-methylpiperidine;ethane
PubChem CID142009767
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-benzyl-1-methylpiperidine;ethane
SMILESCC.CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C13H19N.C2H6/c1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-2/h2-6,13H,7-11H2,1H3;1-2H3
InChIKeyIYFXMDOOYNPMQB-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-benzyl-1-methylpiperidine;ethane 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

4-benzyl-1-methylazepane
CID 123177845
cyclopropylmethylbenzene;ethane;methane
CID 142248267
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-benzyl-1-methoxypiperidine
CID 146666995
4-benzyl-1-(2-methylsulfanylethyl)piperidine
CID 112796308
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
3-benzyl-1,4-dimethylpiperidine
CID 68972702
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111152941
1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 24973996
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-methylpiperidine;ethane?
The IUPAC name of 4-benzyl-1-methylpiperidine;ethane (CID 142009767) is 4-benzyl-1-methylpiperidine;ethane.
What is the SMILES notation for 4-benzyl-1-methylpiperidine;ethane?
The canonical SMILES for 4-benzyl-1-methylpiperidine;ethane is CC.CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-methylpiperidine;ethane?
The InChIKey is IYFXMDOOYNPMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C2H6/c1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-2/h2-6,13H,7-11H2,1H3;1-2H3.
What are the key properties of 4-benzyl-1-methylpiperidine;ethane?
4-benzyl-1-methylpiperidine;ethane has a molecular weight of 219.37 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-methylpiperidine;ethane is sourced from PubChem (CID 142009767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).