1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine

C12H26N4 — CID 115238599

IUPAC1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine
SMILESCN1CCCC(NCC2CN(C)CCN2)C1
InChIInChI=1S/C12H26N4/c1-15-6-3-4-11(9-15)14-8-12-10-16(2)7-5-13-12/h11-14H,3-10H2,1-2H3
InChIKeyDNNNADNRLNDNGK-UHFFFAOYSA-N
MW226.37 g/mol
LogP-0.43
Rot. Bonds3

About 1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine

1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine (PubChem CID 115238599) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine
PubChem CID115238599
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine
SMILESCN1CCCC(NCC2CN(C)CCN2)C1
InChIInChI=1S/C12H26N4/c1-15-6-3-4-11(9-15)14-8-12-10-16(2)7-5-13-12/h11-14H,3-10H2,1-2H3
InChIKeyDNNNADNRLNDNGK-UHFFFAOYSA-N
XLogP-0.43
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-pyrrolidin-2-ylethyl)piperidin-3-amine
CID 115210185
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine
CID 116928178
4-[[(1-methylpiperidin-3-yl)amino]methyl]cyclohexan-1-ol
CID 106126243
1-methyl-N-[(1-methylpiperidin-2-yl)methyl]piperidin-3-amine
CID 62656973
1-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-4-amine
CID 115239353
N-(2-chloroethyl)-1-methylpiperidin-3-amine
CID 115214671
2,2,3-trimethyl-N-[(4-methylpiperazin-2-yl)methyl]butan-1-amine
CID 115238815
1-cyclohexyl-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116956926
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011
N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115197757

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine (CID 115238599) is 1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine is CN1CCCC(NCC2CN(C)CCN2)C1.
What is the InChIKey of 1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine?
The InChIKey is DNNNADNRLNDNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-15-6-3-4-11(9-15)14-8-12-10-16(2)7-5-13-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine?
1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine has a molecular weight of 226.37 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 115238599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).