1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine

C14H25N3 — CID 773054

IUPAC1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine
SMILESCC[C@@H](C)N1CCN(Cc2cccn2C)CC1
InChIInChI=1S/C14H25N3/c1-4-13(2)17-10-8-16(9-11-17)12-14-6-5-7-15(14)3/h5-7,13H,4,8-12H2,1-3H3/t13-/m1/s1
InChIKeySTZAHBNCYQOXLA-CYBMUJFWSA-N
MW235.38 g/mol
LogP1.94
Rot. Bonds4

About 1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine

1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine (PubChem CID 773054) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine
PubChem CID773054
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine
SMILESCC[C@@H](C)N1CCN(Cc2cccn2C)CC1
InChIInChI=1S/C14H25N3/c1-4-13(2)17-10-8-16(9-11-17)12-14-6-5-7-15(14)3/h5-7,13H,4,8-12H2,1-3H3/t13-/m1/s1
InChIKeySTZAHBNCYQOXLA-CYBMUJFWSA-N
XLogP1.94
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine?
The IUPAC name of 1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine (CID 773054) is 1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine is CC[C@@H](C)N1CCN(Cc2cccn2C)CC1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine?
The InChIKey is STZAHBNCYQOXLA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-13(2)17-10-8-16(9-11-17)12-14-6-5-7-15(14)3/h5-7,13H,4,8-12H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine?
1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine has a molecular weight of 235.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine is sourced from PubChem (CID 773054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).