2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine

C13H29N5 — CID 82890041

IUPAC2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
SMILESCN1CCN(CCN2CCN(CCN)CC2)CC1
InChIInChI=1S/C13H29N5/c1-15-4-6-17(7-5-15)12-13-18-10-8-16(3-2-14)9-11-18/h2-14H2,1H3
InChIKeyPGDHLPUVULQDKM-UHFFFAOYSA-N
MW255.41 g/mol
LogP-1.19
Rot. Bonds5

About 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine

2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine (PubChem CID 82890041) has the molecular formula C13H29N5 and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
PubChem CID82890041
Molecular FormulaC13H29N5
Molecular Weight255.41 g/mol
Exact Mass255.24
IUPAC Name2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
SMILESCN1CCN(CCN2CCN(CCN)CC2)CC1
InChIInChI=1S/C13H29N5/c1-15-4-6-17(7-5-15)12-13-18-10-8-16(3-2-14)9-11-18/h2-14H2,1H3
InChIKeyPGDHLPUVULQDKM-UHFFFAOYSA-N
XLogP-1.19
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine
CID 162033952
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine
CID 80698853
2-(aziridin-1-yl)ethanamine;dichloronickel
CID 15821369
2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
CID 130322012
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
2-(4-iodopiperazin-1-yl)ethanamine
CID 89179522
methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane
CID 145081546
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine (CID 82890041) is 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine is CN1CCN(CCN2CCN(CCN)CC2)CC1.
What is the InChIKey of 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine?
The InChIKey is PGDHLPUVULQDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5/c1-15-4-6-17(7-5-15)12-13-18-10-8-16(3-2-14)9-11-18/h2-14H2,1H3.
What are the key properties of 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine?
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine has a molecular weight of 255.41 g/mol, XLogP of -1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 82890041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).