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

C13H23Cl2N3 — CID 171287811

IUPAC1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1c[nH]c([C@@H](C2CCC2)N2CCNCC2)c1
InChIInChI=1S/C13H21N3.2ClH/c1-3-11(4-1)13(12-5-2-6-15-12)16-9-7-14-8-10-16;;/h2,5-6,11,13-15H,1,3-4,7-10H2;2*1H/t13-;;/m1../s1
InChIKeyXJMYHSCQSLBKBW-FFXKMJQXSA-N
MW292.25 g/mol
LogP2.60
Rot. Bonds3

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

1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride (PubChem CID 171287811) has the molecular formula C13H23Cl2N3 and a molecular weight of 292.25 g/mol. Its IUPAC name is 1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride
PubChem CID171287811
Molecular FormulaC13H23Cl2N3
Molecular Weight292.25 g/mol
Exact Mass291.13
IUPAC Name1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1c[nH]c([C@@H](C2CCC2)N2CCNCC2)c1
InChIInChI=1S/C13H21N3.2ClH/c1-3-11(4-1)13(12-5-2-6-15-12)16-9-7-14-8-10-16;;/h2,5-6,11,13-15H,1,3-4,7-10H2;2*1H/t13-;;/m1../s1
InChIKeyXJMYHSCQSLBKBW-FFXKMJQXSA-N
XLogP2.60
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82288990
1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride
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CID 171175923
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171285182
1-[(S)-cyclobutyl-(4-pyrrolidin-1-ylphenyl)methyl]piperazine;dihydrochloride
CID 171284553
3-[(R)-cyclobutyl(piperazin-1-yl)methyl]benzene-1,2-diol
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1-[(R)-cyclohexyl(furan-2-yl)methyl]piperazine;dihydrochloride
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1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
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1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine
CID 82290436

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride (CID 171287811) is 1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride is Cl.Cl.c1c[nH]c([C@@H](C2CCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride?
The InChIKey is XJMYHSCQSLBKBW-FFXKMJQXSA-N. The full InChI is InChI=1S/C13H21N3.2ClH/c1-3-11(4-1)13(12-5-2-6-15-12)16-9-7-14-8-10-16;;/h2,5-6,11,13-15H,1,3-4,7-10H2;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride has a molecular weight of 292.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).