2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine

C19H31N3 — CID 83978388

IUPAC2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine
SMILESCCC1CNCCN1C(CN1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C19H31N3/c1-3-18-14-20-10-13-22(18)19(15-21-11-4-5-12-21)17-8-6-16(2)7-9-17/h6-9,18-20H,3-5,10-15H2,1-2H3
InChIKeyHASVNXODPMXVAR-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.82
Rot. Bonds5

About 2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine

2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine (PubChem CID 83978388) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine.

Molecular Properties

Compound Name2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine
PubChem CID83978388
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine
SMILESCCC1CNCCN1C(CN1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C19H31N3/c1-3-18-14-20-10-13-22(18)19(15-21-11-4-5-12-21)17-8-6-16(2)7-9-17/h6-9,18-20H,3-5,10-15H2,1-2H3
InChIKeyHASVNXODPMXVAR-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine
CID 83979124
(2R)-2-ethyl-1-propan-2-ylpiperazine
CID 51627942
2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 174972319
(2R)-2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 141432719
N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 112539324
2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine
CID 64930896
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline
CID 83977914
2-ethyl-1-(1,2,2-trifluoroethyl)piperazine
CID 174972427
1-(1-cyclopentylethyl)-2-ethylpiperazine
CID 64932721
2-ethyl-1-pentan-2-ylpiperazine
CID 64938053
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine?
The IUPAC name of 2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine (CID 83978388) is 2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine.
What is the SMILES notation for 2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine?
The canonical SMILES for 2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine is CCC1CNCCN1C(CN1CCCC1)c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine?
The InChIKey is HASVNXODPMXVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-3-18-14-20-10-13-22(18)19(15-21-11-4-5-12-21)17-8-6-16(2)7-9-17/h6-9,18-20H,3-5,10-15H2,1-2H3.
What are the key properties of 2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine?
2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine has a molecular weight of 301.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine is sourced from PubChem (CID 83978388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).