1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine

C10H17N3 — CID 116928127

IUPAC1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine
SMILESCN1CCNC(Cc2cc[nH]c2)C1
InChIInChI=1S/C10H17N3/c1-13-5-4-12-10(8-13)6-9-2-3-11-7-9/h2-3,7,10-12H,4-6,8H2,1H3
InChIKeyTXTPLFJADYIXID-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.46
Rot. Bonds2

About 1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine

1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine (PubChem CID 116928127) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine
PubChem CID116928127
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine
SMILESCN1CCNC(Cc2cc[nH]c2)C1
InChIInChI=1S/C10H17N3/c1-13-5-4-12-10(8-13)6-9-2-3-11-7-9/h2-3,7,10-12H,4-6,8H2,1H3
InChIKeyTXTPLFJADYIXID-UHFFFAOYSA-N
XLogP0.46
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine
CID 116928299
3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
CID 82286365
3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methylpiperazine
CID 116991840
1-methyl-3-[(1-methylimidazol-2-yl)methyl]piperazine
CID 83443620
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
CID 82292400
3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine
CID 83531093
5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one
CID 83847703
7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole
CID 84630932
N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238651
3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine
CID 116928133

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine?
The IUPAC name of 1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine (CID 116928127) is 1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine.
What is the SMILES notation for 1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine?
The canonical SMILES for 1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine is CN1CCNC(Cc2cc[nH]c2)C1.
What is the InChIKey of 1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine?
The InChIKey is TXTPLFJADYIXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-13-5-4-12-10(8-13)6-9-2-3-11-7-9/h2-3,7,10-12H,4-6,8H2,1H3.
What are the key properties of 1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine?
1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine has a molecular weight of 179.27 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine is sourced from PubChem (CID 116928127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).