1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine

C15H26N4 — CID 82303050

IUPAC1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine
SMILESCn1ccc(C(CN2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C15H26N4/c1-17-9-4-14(12-17)15(13-18-7-2-3-8-18)19-10-5-16-6-11-19/h4,9,12,15-16H,2-3,5-8,10-11,13H2,1H3
InChIKeyPIFOGUBTICSKOD-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.07
Rot. Bonds4

About 1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine

1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine (PubChem CID 82303050) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine.

Molecular Properties

Compound Name1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine
PubChem CID82303050
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine
SMILESCn1ccc(C(CN2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C15H26N4/c1-17-9-4-14(12-17)15(13-18-7-2-3-8-18)19-10-5-16-6-11-19/h4,9,12,15-16H,2-3,5-8,10-11,13H2,1H3
InChIKeyPIFOGUBTICSKOD-UHFFFAOYSA-N
XLogP1.07
TPSA23.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol
CID 82283971
N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline
CID 83977914
1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine
CID 83978283
1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine
CID 83978752
1-[1-(3,4-diethoxyphenyl)-2-pyrrolidin-1-ylethyl]piperazine
CID 112540179
1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol
CID 82287228
4-[(1-methylpyrrol-3-yl)-pyrrolidin-1-ylmethyl]piperidine
CID 82296098
4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine
CID 83978634
1-(1-pyridin-2-yl-2-pyrrolidin-1-ylethyl)piperazine
CID 83980171
1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 112539500
1-(2-piperazin-1-yl-1-pyridin-3-ylethyl)azepane
CID 82201767
1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 129365376

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine?
The IUPAC name of 1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine (CID 82303050) is 1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine.
What is the SMILES notation for 1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine?
The canonical SMILES for 1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine is Cn1ccc(C(CN2CCCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine?
The InChIKey is PIFOGUBTICSKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-17-9-4-14(12-17)15(13-18-7-2-3-8-18)19-10-5-16-6-11-19/h4,9,12,15-16H,2-3,5-8,10-11,13H2,1H3.
What are the key properties of 1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine?
1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine is sourced from PubChem (CID 82303050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).