N-benzyl-N,1-dimethylpiperidin-3-amine;ethane

C16H28N2 — CID 142272680

IUPACN-benzyl-N,1-dimethylpiperidin-3-amine;ethane
SMILESCC.CN1CCCC(N(C)Cc2ccccc2)C1
InChIInChI=1S/C14H22N2.C2H6/c1-15-10-6-9-14(12-15)16(2)11-13-7-4-3-5-8-13;1-2/h3-5,7-8,14H,6,9-12H2,1-2H3;1-2H3
InChIKeyCKTQRWOCFFQGHT-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.24
Rot. Bonds3

About N-benzyl-N,1-dimethylpiperidin-3-amine;ethane

N-benzyl-N,1-dimethylpiperidin-3-amine;ethane (PubChem CID 142272680) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-benzyl-N,1-dimethylpiperidin-3-amine;ethane.

Molecular Properties

Compound NameN-benzyl-N,1-dimethylpiperidin-3-amine;ethane
PubChem CID142272680
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-benzyl-N,1-dimethylpiperidin-3-amine;ethane
SMILESCC.CN1CCCC(N(C)Cc2ccccc2)C1
InChIInChI=1S/C14H22N2.C2H6/c1-15-10-6-9-14(12-15)16(2)11-13-7-4-3-5-8-13;1-2/h3-5,7-8,14H,6,9-12H2,1-2H3;1-2H3
InChIKeyCKTQRWOCFFQGHT-UHFFFAOYSA-N
XLogP3.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N,1-dimethylpiperidin-3-amine;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

3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
CID 62545532
N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 62545615
2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 66567107
2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685
N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 112646134
N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 55084699
N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79705621
2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 79008803
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]but-2-yn-1-one
CID 42508292
4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82958502
N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 64587065
N-benzyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 23563457

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,1-dimethylpiperidin-3-amine;ethane?
The IUPAC name of N-benzyl-N,1-dimethylpiperidin-3-amine;ethane (CID 142272680) is N-benzyl-N,1-dimethylpiperidin-3-amine;ethane.
What is the SMILES notation for N-benzyl-N,1-dimethylpiperidin-3-amine;ethane?
The canonical SMILES for N-benzyl-N,1-dimethylpiperidin-3-amine;ethane is CC.CN1CCCC(N(C)Cc2ccccc2)C1.
What is the InChIKey of N-benzyl-N,1-dimethylpiperidin-3-amine;ethane?
The InChIKey is CKTQRWOCFFQGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C2H6/c1-15-10-6-9-14(12-15)16(2)11-13-7-4-3-5-8-13;1-2/h3-5,7-8,14H,6,9-12H2,1-2H3;1-2H3.
What are the key properties of N-benzyl-N,1-dimethylpiperidin-3-amine;ethane?
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane has a molecular weight of 248.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,1-dimethylpiperidin-3-amine;ethane is sourced from PubChem (CID 142272680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).