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

C16H26ClN3 — CID 62547087

IUPAC1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
SMILESCC(N)C(c1cccc(Cl)c1)N(C)C1CCCN(C)C1
InChIInChI=1S/C16H26ClN3/c1-12(18)16(13-6-4-7-14(17)10-13)20(3)15-8-5-9-19(2)11-15/h4,6-7,10,12,15-16H,5,8-9,11,18H2,1-3H3
InChIKeyRGQMCPCASVZGIG-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.75
Rot. Bonds4

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

1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine (PubChem CID 62547087) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
PubChem CID62547087
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
SMILESCC(N)C(c1cccc(Cl)c1)N(C)C1CCCN(C)C1
InChIInChI=1S/C16H26ClN3/c1-12(18)16(13-6-4-7-14(17)10-13)20(3)15-8-5-9-19(2)11-15/h4,6-7,10,12,15-16H,5,8-9,11,18H2,1-3H3
InChIKeyRGQMCPCASVZGIG-UHFFFAOYSA-N
XLogP2.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine?
The IUPAC name of 1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine (CID 62547087) is 1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine is CC(N)C(c1cccc(Cl)c1)N(C)C1CCCN(C)C1.
What is the InChIKey of 1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine?
The InChIKey is RGQMCPCASVZGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-12(18)16(13-6-4-7-14(17)10-13)20(3)15-8-5-9-19(2)11-15/h4,6-7,10,12,15-16H,5,8-9,11,18H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine?
1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine has a molecular weight of 295.86 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine is sourced from PubChem (CID 62547087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).