1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine

C13H27N3 — CID 156559020

IUPAC1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine
SMILESCCN1CCN(CCC2CCN(C)C2)CC1
InChIInChI=1S/C13H27N3/c1-3-15-8-10-16(11-9-15)7-5-13-4-6-14(2)12-13/h13H,3-12H2,1-2H3
InChIKeyRPHSJMKVPJHCEP-UHFFFAOYSA-N
MW225.38 g/mol
LogP0.97
Rot. Bonds4

About 1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine

1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine (PubChem CID 156559020) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine
PubChem CID156559020
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine
SMILESCCN1CCN(CCC2CCN(C)C2)CC1
InChIInChI=1S/C13H27N3/c1-3-15-8-10-16(11-9-15)7-5-13-4-6-14(2)12-13/h13H,3-12H2,1-2H3
InChIKeyRPHSJMKVPJHCEP-UHFFFAOYSA-N
XLogP0.97
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropylethyl)-4-ethylpiperazine
CID 171795940
1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine
CID 167265160
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
1-ethyl-4-(1-methylpiperidin-4-yl)piperidine
CID 70910959
1,4-diethylpiperidine;1-ethyl-4-methylpiperazine
CID 143157970
2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol
CID 59948989
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine?
The IUPAC name of 1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine (CID 156559020) is 1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine?
The canonical SMILES for 1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine is CCN1CCN(CCC2CCN(C)C2)CC1.
What is the InChIKey of 1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine?
The InChIKey is RPHSJMKVPJHCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-15-8-10-16(11-9-15)7-5-13-4-6-14(2)12-13/h13H,3-12H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine?
1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine has a molecular weight of 225.38 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine is sourced from PubChem (CID 156559020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).