1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride

C10H18ClN3 — CID 71637758

IUPAC1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride
SMILESCC(c1ccc[nH]1)N1CCNCC1.Cl
InChIInChI=1S/C10H17N3.ClH/c1-9(10-3-2-4-12-10)13-7-5-11-6-8-13;/h2-4,9,11-12H,5-8H2,1H3;1H
InChIKeyWVUHXFDLXVJBSV-UHFFFAOYSA-N
MW215.73 g/mol
LogP1.40
Rot. Bonds2

About 1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride

1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride (PubChem CID 71637758) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is 1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride
PubChem CID71637758
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride
SMILESCC(c1ccc[nH]1)N1CCNCC1.Cl
InChIInChI=1S/C10H17N3.ClH/c1-9(10-3-2-4-12-10)13-7-5-11-6-8-13;/h2-4,9,11-12H,5-8H2,1H3;1H
InChIKeyWVUHXFDLXVJBSV-UHFFFAOYSA-N
XLogP1.40
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
CID 116960982
1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride
CID 171287820
(3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 71637682
1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride
CID 171287811
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine
CID 171308857
[(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 98084244
(3S)-3-piperazin-1-yl-3-(1H-pyrrol-2-yl)propanenitrile;dihydrochloride
CID 171305914
1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280303
tert-butyl 4-[(1R)-1-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate
CID 97175641
2-(1-piperazin-1-ylethyl)-1H-indole
CID 116995173
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride (CID 71637758) is 1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride is CC(c1ccc[nH]1)N1CCNCC1.Cl.
What is the InChIKey of 1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride?
The InChIKey is WVUHXFDLXVJBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.ClH/c1-9(10-3-2-4-12-10)13-7-5-11-6-8-13;/h2-4,9,11-12H,5-8H2,1H3;1H.
What are the key properties of 1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride?
1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride has a molecular weight of 215.73 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 71637758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).