1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine

C11H19N3 — CID 82656870

IUPAC1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine
SMILESCc1c[nH]c(C)c1CN1CCNCC1
InChIInChI=1S/C11H19N3/c1-9-7-13-10(2)11(9)8-14-5-3-12-4-6-14/h7,12-13H,3-6,8H2,1-2H3
InChIKeyNXKFJQMUVNDHNY-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.04
Rot. Bonds2

About 1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine

1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine (PubChem CID 82656870) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine
PubChem CID82656870
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine
SMILESCc1c[nH]c(C)c1CN1CCNCC1
InChIInChI=1S/C11H19N3/c1-9-7-13-10(2)11(9)8-14-5-3-12-4-6-14/h7,12-13H,3-6,8H2,1-2H3
InChIKeyNXKFJQMUVNDHNY-UHFFFAOYSA-N
XLogP1.04
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-3,6-dimethylphenyl)methyl]piperazine
CID 84812650
3-chloro-4-methyl-2-(piperazin-1-ylmethyl)phenol
CID 84800713
2-chloro-3,5-dimethyl-6-(piperazin-1-ylmethyl)phenol
CID 117390249
3-chloro-6-methyl-2-(piperazin-1-ylmethyl)aniline
CID 82511287
1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]piperazine
CID 117482052
5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one
CID 82507416
1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine
CID 82553993
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine
CID 117458592
1-[(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 117454647
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine
CID 178009376

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine?
The IUPAC name of 1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine (CID 82656870) is 1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine is Cc1c[nH]c(C)c1CN1CCNCC1.
What is the InChIKey of 1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine?
The InChIKey is NXKFJQMUVNDHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-7-13-10(2)11(9)8-14-5-3-12-4-6-14/h7,12-13H,3-6,8H2,1-2H3.
What are the key properties of 1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine?
1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine has a molecular weight of 193.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine is sourced from PubChem (CID 82656870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).