4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline

C18H24N4 — CID 112721039

IUPAC4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline
SMILESCN1CCN(Cc2ccc(NCc3cccnc3)cc2)CC1
InChIInChI=1S/C18H24N4/c1-21-9-11-22(12-10-21)15-16-4-6-18(7-5-16)20-14-17-3-2-8-19-13-17/h2-8,13,20H,9-12,14-15H2,1H3
InChIKeyVMNBJXNTPCTRAY-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.44
Rot. Bonds5

About 4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline

4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline (PubChem CID 112721039) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline
PubChem CID112721039
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline
SMILESCN1CCN(Cc2ccc(NCc3cccnc3)cc2)CC1
InChIInChI=1S/C18H24N4/c1-21-9-11-22(12-10-21)15-16-4-6-18(7-5-16)20-14-17-3-2-8-19-13-17/h2-8,13,20H,9-12,14-15H2,1H3
InChIKeyVMNBJXNTPCTRAY-UHFFFAOYSA-N
XLogP2.44
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109186273
4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 83961082
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-(2,2-dimethylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 112721064
1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 167693775
4-butyl-N-(pyridin-3-ylmethyl)aniline
CID 28675603
(4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109213109
(4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109208075
N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 43231929
N-(2-ethylbutyl)-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 112721076
2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 63104400
6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112857915

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline (CID 112721039) is 4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline is CN1CCN(Cc2ccc(NCc3cccnc3)cc2)CC1.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is VMNBJXNTPCTRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-21-9-11-22(12-10-21)15-16-4-6-18(7-5-16)20-14-17-3-2-8-19-13-17/h2-8,13,20H,9-12,14-15H2,1H3.
What are the key properties of 4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline?
4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 296.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 112721039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).