3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine

C11H20N4 — CID 116939912

IUPAC3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
SMILESNC(CCN1CCNCC1)c1ccc[nH]1
InChIInChI=1S/C11H20N4/c12-10(11-2-1-4-14-11)3-7-15-8-5-13-6-9-15/h1-2,4,10,13-14H,3,5-9,12H2
InChIKeyVGRNEBFJQNCBKN-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.31
Rot. Bonds4

About 3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine

3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine (PubChem CID 116939912) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
PubChem CID116939912
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
SMILESNC(CCN1CCNCC1)c1ccc[nH]1
InChIInChI=1S/C11H20N4/c12-10(11-2-1-4-14-11)3-7-15-8-5-13-6-9-15/h1-2,4,10,13-14H,3,5-9,12H2
InChIKeyVGRNEBFJQNCBKN-UHFFFAOYSA-N
XLogP0.31
TPSA57.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine
CID 116939924
(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
CID 96637438
(1S)-4,4,4-trifluoro-1-(1H-pyrrol-2-yl)butan-1-amine;hydrochloride
CID 171221235
1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-amine
CID 116939916
1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine
CID 116939903
3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 116939906
(1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride
CID 171201685
1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride
CID 171287820
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680
1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine
CID 171308857
1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride
CID 71637758
4-methyl-1-piperazin-1-ylpentan-3-amine
CID 116939882

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine?
The IUPAC name of 3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine (CID 116939912) is 3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine.
What is the SMILES notation for 3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine?
The canonical SMILES for 3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine is NC(CCN1CCNCC1)c1ccc[nH]1.
What is the InChIKey of 3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine?
The InChIKey is VGRNEBFJQNCBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-10(11-2-1-4-14-11)3-7-15-8-5-13-6-9-15/h1-2,4,10,13-14H,3,5-9,12H2.
What are the key properties of 3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine?
3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 116939912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).