1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine

C13H23N3 — CID 171308857

IUPAC1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine
SMILESCCCC[C@@H](c1ccc[nH]1)N1CCNCC1
InChIInChI=1S/C13H23N3/c1-2-3-6-13(12-5-4-7-15-12)16-10-8-14-9-11-16/h4-5,7,13-15H,2-3,6,8-11H2,1H3/t13-/m0/s1
InChIKeyDASZXPCQANFLRR-ZDUSSCGKSA-N
MW221.35 g/mol
LogP2.15
Rot. Bonds5

About 1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine

1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine (PubChem CID 171308857) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine
PubChem CID171308857
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine
SMILESCCCC[C@@H](c1ccc[nH]1)N1CCNCC1
InChIInChI=1S/C13H23N3/c1-2-3-6-13(12-5-4-7-15-12)16-10-8-14-9-11-16/h4-5,7,13-15H,2-3,6,8-11H2,1H3/t13-/m0/s1
InChIKeyDASZXPCQANFLRR-ZDUSSCGKSA-N
XLogP2.15
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride
CID 171287820
1-[(1S)-1-thiophen-2-ylpentyl]piperazine
CID 171309479
1-[(1R)-1-thiophen-2-ylpentyl]piperazine;dihydrochloride
CID 171308182
(3S)-3-piperazin-1-yl-3-(1H-pyrrol-2-yl)propanenitrile;dihydrochloride
CID 171305914
1-[(1S)-1-pyridin-3-ylpentyl]piperazine
CID 171308841
6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride
CID 171307830
1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309043
1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride
CID 171308868
1-[(1R)-1-naphthalen-2-ylpentyl]piperazine;dihydrochloride
CID 171307529
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680
1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine
CID 171308919
1-[(1S)-1-(3,5-dibromophenyl)pentyl]piperazine
CID 171309615

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine?
The IUPAC name of 1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine (CID 171308857) is 1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine is CCCC[C@@H](c1ccc[nH]1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine?
The InChIKey is DASZXPCQANFLRR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-3-6-13(12-5-4-7-15-12)16-10-8-14-9-11-16/h4-5,7,13-15H,2-3,6,8-11H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine?
1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine has a molecular weight of 221.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine is sourced from PubChem (CID 171308857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).