[4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine

C14H30N4 — CID 80505748

IUPAC[4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine
SMILESCN1CCN(CCC2CCCCN2C)C(CN)C1
InChIInChI=1S/C14H30N4/c1-16-9-10-18(14(11-15)12-16)8-6-13-5-3-4-7-17(13)2/h13-14H,3-12,15H2,1-2H3
InChIKeyIJEVWJZCVXHQOO-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.44
Rot. Bonds4

About [4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine

[4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine (PubChem CID 80505748) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is [4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine
PubChem CID80505748
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name[4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine
SMILESCN1CCN(CCC2CCCCN2C)C(CN)C1
InChIInChI=1S/C14H30N4/c1-16-9-10-18(14(11-15)12-16)8-6-13-5-3-4-7-17(13)2/h13-14H,3-12,15H2,1-2H3
InChIKeyIJEVWJZCVXHQOO-UHFFFAOYSA-N
XLogP0.44
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine (CID 80505748) is [4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine is CN1CCN(CCC2CCCCN2C)C(CN)C1.
What is the InChIKey of [4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine?
The InChIKey is IJEVWJZCVXHQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-16-9-10-18(14(11-15)12-16)8-6-13-5-3-4-7-17(13)2/h13-14H,3-12,15H2,1-2H3.
What are the key properties of [4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine?
[4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine has a molecular weight of 254.42 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine is sourced from PubChem (CID 80505748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).