1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine

C16H27N3 — CID 96678020

IUPAC1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine
SMILESCc1cc(CCCN2CCNCC2)c(C)n1C1CC1
InChIInChI=1S/C16H27N3/c1-13-12-15(14(2)19(13)16-5-6-16)4-3-9-18-10-7-17-8-11-18/h12,16-17H,3-11H2,1-2H3
InChIKeyADRGASQLCUTPRZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.28
Rot. Bonds5

About 1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine

1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine (PubChem CID 96678020) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine
PubChem CID96678020
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine
SMILESCc1cc(CCCN2CCNCC2)c(C)n1C1CC1
InChIInChI=1S/C16H27N3/c1-13-12-15(14(2)19(13)16-5-6-16)4-3-9-18-10-7-17-8-11-18/h12,16-17H,3-11H2,1-2H3
InChIKeyADRGASQLCUTPRZ-UHFFFAOYSA-N
XLogP2.28
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)propyl]morpholine
CID 170871449
1-[3-(2-bromo-4-methylphenyl)propyl]piperazine
CID 82308191
4,6-dimethyl-2-(2-piperazin-1-ylethyl)pyrimidine
CID 82472710
1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine
CID 19878391
1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 83948856
1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine
CID 83936615
3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole
CID 141146127
2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine
CID 83948925
1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 82502267
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
2-(3-piperazin-1-ylpropyl)aniline
CID 82161391
5-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole-6-carboxylic acid
CID 83947109

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine?
The IUPAC name of 1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine (CID 96678020) is 1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine.
What is the SMILES notation for 1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine?
The canonical SMILES for 1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine is Cc1cc(CCCN2CCNCC2)c(C)n1C1CC1.
What is the InChIKey of 1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine?
The InChIKey is ADRGASQLCUTPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-12-15(14(2)19(13)16-5-6-16)4-3-9-18-10-7-17-8-11-18/h12,16-17H,3-11H2,1-2H3.
What are the key properties of 1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine?
1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine has a molecular weight of 261.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)propyl]piperazine is sourced from PubChem (CID 96678020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).