1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride

C12H23Cl2N3 — CID 171287820

IUPAC1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccc[nH]1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H21N3.2ClH/c1-2-4-12(11-5-3-6-14-11)15-9-7-13-8-10-15;;/h3,5-6,12-14H,2,4,7-10H2,1H3;2*1H/t12-;;/m1../s1
InChIKeyPSXUZAPKRJNOGN-CURYUGHLSA-N
MW280.24 g/mol
LogP2.60
Rot. Bonds4

About 1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride

1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride (PubChem CID 171287820) has the molecular formula C12H23Cl2N3 and a molecular weight of 280.24 g/mol. Its IUPAC name is 1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride
PubChem CID171287820
Molecular FormulaC12H23Cl2N3
Molecular Weight280.24 g/mol
Exact Mass279.13
IUPAC Name1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccc[nH]1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H21N3.2ClH/c1-2-4-12(11-5-3-6-14-11)15-9-7-13-8-10-15;;/h3,5-6,12-14H,2,4,7-10H2,1H3;2*1H/t12-;;/m1../s1
InChIKeyPSXUZAPKRJNOGN-CURYUGHLSA-N
XLogP2.60
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(3S)-3-piperazin-1-yl-3-(1H-pyrrol-2-yl)propanenitrile;dihydrochloride
CID 171305914
1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride
CID 71637758
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
1-[(1S)-1-(2-iodophenyl)butyl]piperazine
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1-[(1S)-1-(4-iodophenyl)butyl]piperazine
CID 171276051
1-[(1S)-1-(3,5-dimethylphenyl)butyl]piperazine;dihydrochloride
CID 171275537
1-[(1S)-1-(3-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171283135
5-[(1S)-1-piperazin-1-ylbutyl]benzene-1,3-diol;dihydrochloride
CID 171273865
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
3-[(1R)-1-piperazin-1-ylbutyl]benzene-1,2-diol;dihydrochloride
CID 171287330
1-[(1S)-1-(3,4,5-trifluorophenyl)butyl]piperazine;hydrochloride
CID 171164975

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride (CID 171287820) is 1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride is CCC[C@H](c1ccc[nH]1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride?
The InChIKey is PSXUZAPKRJNOGN-CURYUGHLSA-N. The full InChI is InChI=1S/C12H21N3.2ClH/c1-2-4-12(11-5-3-6-14-11)15-9-7-13-8-10-15;;/h3,5-6,12-14H,2,4,7-10H2,1H3;2*1H/t12-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride?
1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride has a molecular weight of 280.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).