1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine

C15H27N3 — CID 166501288

IUPAC1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine
SMILESCC(C)(C)c1ccn(CCCN2CCNCC2)c1
InChIInChI=1S/C15H27N3/c1-15(2,3)14-5-10-18(13-14)9-4-8-17-11-6-16-7-12-17/h5,10,13,16H,4,6-9,11-12H2,1-3H3
InChIKeyJJOFHBMBAVLJCH-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.08
Rot. Bonds4

About 1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine

1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine (PubChem CID 166501288) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine
PubChem CID166501288
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine
SMILESCC(C)(C)c1ccn(CCCN2CCNCC2)c1
InChIInChI=1S/C15H27N3/c1-15(2,3)14-5-10-18(13-14)9-4-8-17-11-6-16-7-12-17/h5,10,13,16H,4,6-9,11-12H2,1-3H3
InChIKeyJJOFHBMBAVLJCH-UHFFFAOYSA-N
XLogP2.08
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide
CID 175700216
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
1-[3-(3-methylazetidin-1-yl)propyl]piperazine
CID 79677275
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690
1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine
CID 79677755
1-[2-(4-tert-butylphenyl)ethyl]-1,4-diazepane
CID 82090319
1-(5-pyrrol-1-ylpentyl)-1,4,8,11-tetrazacyclotetradecane
CID 100948987
5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277483
1-[6-(2-tert-butylphenoxy)hexyl]piperazine
CID 3399314
1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine
CID 117389286
2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine
CID 115230643

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine?
The IUPAC name of 1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine (CID 166501288) is 1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine.
What is the SMILES notation for 1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine?
The canonical SMILES for 1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine is CC(C)(C)c1ccn(CCCN2CCNCC2)c1.
What is the InChIKey of 1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine?
The InChIKey is JJOFHBMBAVLJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-15(2,3)14-5-10-18(13-14)9-4-8-17-11-6-16-7-12-17/h5,10,13,16H,4,6-9,11-12H2,1-3H3.
What are the key properties of 1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine?
1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine has a molecular weight of 249.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine is sourced from PubChem (CID 166501288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).