1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine

C12H26N4 — CID 18001661

IUPAC1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCN1CCN(CCN2CCC(N)CC2)CC1
InChIInChI=1S/C12H26N4/c1-14-6-8-16(9-7-14)11-10-15-4-2-12(13)3-5-15/h12H,2-11,13H2,1H3
InChIKeyGAUZHPWWXUYPHS-UHFFFAOYSA-N
MW226.37 g/mol
LogP-0.34
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine

1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine (PubChem CID 18001661) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
PubChem CID18001661
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCN1CCN(CCN2CCC(N)CC2)CC1
InChIInChI=1S/C12H26N4/c1-14-6-8-16(9-7-14)11-10-15-4-2-12(13)3-5-15/h12H,2-11,13H2,1H3
InChIKeyGAUZHPWWXUYPHS-UHFFFAOYSA-N
XLogP-0.34
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine (CID 18001661) is 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine is CN1CCN(CCN2CCC(N)CC2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
The InChIKey is GAUZHPWWXUYPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-14-6-8-16(9-7-14)11-10-15-4-2-12(13)3-5-15/h12H,2-11,13H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine has a molecular weight of 226.37 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 18001661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).