N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine

C14H24N4 — CID 115255740

IUPACN-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCC(CN(C)Cc1cccnc1)N1CCNCC1
InChIInChI=1S/C14H24N4/c1-13(18-8-6-15-7-9-18)11-17(2)12-14-4-3-5-16-10-14/h3-5,10,13,15H,6-9,11-12H2,1-2H3
InChIKeyAXCJXQIMCNRCTL-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.81
Rot. Bonds5

About N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine

N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 115255740) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID115255740
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCC(CN(C)Cc1cccnc1)N1CCNCC1
InChIInChI=1S/C14H24N4/c1-13(18-8-6-15-7-9-18)11-17(2)12-14-4-3-5-16-10-14/h3-5,10,13,15H,6-9,11-12H2,1-2H3
InChIKeyAXCJXQIMCNRCTL-UHFFFAOYSA-N
XLogP0.81
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine 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

N-methyl-N-(3-piperazin-1-ylbutyl)pyridin-3-amine
CID 115255466
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 115255751
2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 55247242
N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62433595
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine
CID 65015832
N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine
CID 115255786
2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol
CID 59073565
1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 115474925
1-[(1S)-1-pyridin-3-ylpropyl]piperazine
CID 92764058

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine (CID 115255740) is N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine is CC(CN(C)Cc1cccnc1)N1CCNCC1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is AXCJXQIMCNRCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-13(18-8-6-15-7-9-18)11-17(2)12-14-4-3-5-16-10-14/h3-5,10,13,15H,6-9,11-12H2,1-2H3.
What are the key properties of N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 115255740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).