N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine

C15H25N3 — CID 62546739

IUPACN-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
SMILESCN1CCCC(N(C)C(CN)c2ccccc2)C1
InChIInChI=1S/C15H25N3/c1-17-10-6-9-14(12-17)18(2)15(11-16)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12,16H2,1-2H3
InChIKeyXNKULCGGURGWAX-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.71
Rot. Bonds4

About N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine

N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine (PubChem CID 62546739) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
PubChem CID62546739
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
SMILESCN1CCCC(N(C)C(CN)c2ccccc2)C1
InChIInChI=1S/C15H25N3/c1-17-10-6-9-14(12-17)18(2)15(11-16)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12,16H2,1-2H3
InChIKeyXNKULCGGURGWAX-UHFFFAOYSA-N
XLogP1.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 55084951
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-phenylpentane-1,2-diamine
CID 62546049
1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 63669450
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-phenylbutane-1,2-diamine
CID 62546230
N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 62546573
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545332
2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685
N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 61439510
1-(4-bromothiophen-2-yl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545505
N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine
CID 63193569
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 79968413

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine (CID 62546739) is N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine is CN1CCCC(N(C)C(CN)c2ccccc2)C1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine?
The InChIKey is XNKULCGGURGWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17-10-6-9-14(12-17)18(2)15(11-16)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12,16H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine?
N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 62546739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).