[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine

C14H24N4 — CID 114199128

IUPAC[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine
SMILESCC1CN(Cc2ncccc2CN)CC(C)N1C
InChIInChI=1S/C14H24N4/c1-11-8-18(9-12(2)17(11)3)10-14-13(7-15)5-4-6-16-14/h4-6,11-12H,7-10,15H2,1-3H3
InChIKeyKCPSXHCDYLRQIL-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.06
Rot. Bonds3

About [2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine

[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine (PubChem CID 114199128) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is [2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine
PubChem CID114199128
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine
SMILESCC1CN(Cc2ncccc2CN)CC(C)N1C
InChIInChI=1S/C14H24N4/c1-11-8-18(9-12(2)17(11)3)10-14-13(7-15)5-4-6-16-14/h4-6,11-12H,7-10,15H2,1-3H3
InChIKeyKCPSXHCDYLRQIL-UHFFFAOYSA-N
XLogP1.06
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 114539469
[2-(azetidin-1-ylmethyl)-3-pyridinyl]methanamine
CID 105437205
[2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine
CID 114199136
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 55217914
[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine
CID 114199079
[2-[(3,3-dimethylpiperidin-1-yl)methyl]-3-pyridinyl]methanamine
CID 114199075
5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine
CID 103056908
[2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 63605164
2-pyridin-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537050
[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 114539521
[3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 114537265
[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113021

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine?
The IUPAC name of [2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine (CID 114199128) is [2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine?
The canonical SMILES for [2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine is CC1CN(Cc2ncccc2CN)CC(C)N1C.
What is the InChIKey of [2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine?
The InChIKey is KCPSXHCDYLRQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-8-18(9-12(2)17(11)3)10-14-13(7-15)5-4-6-16-14/h4-6,11-12H,7-10,15H2,1-3H3.
What are the key properties of [2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine?
[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 114199128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).