1-[(1-methylpyrrol-3-yl)methyl]piperazine

C10H17N3 — CID 82280746

IUPAC1-[(1-methylpyrrol-3-yl)methyl]piperazine
SMILESCn1ccc(CN2CCNCC2)c1
InChIInChI=1S/C10H17N3/c1-12-5-2-10(8-12)9-13-6-3-11-4-7-13/h2,5,8,11H,3-4,6-7,9H2,1H3
InChIKeyBIHVRQZCGWIRSS-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.43
Rot. Bonds2

About 1-[(1-methylpyrrol-3-yl)methyl]piperazine

1-[(1-methylpyrrol-3-yl)methyl]piperazine (PubChem CID 82280746) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-[(1-methylpyrrol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-methylpyrrol-3-yl)methyl]piperazine
PubChem CID82280746
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-[(1-methylpyrrol-3-yl)methyl]piperazine
SMILESCn1ccc(CN2CCNCC2)c1
InChIInChI=1S/C10H17N3/c1-12-5-2-10(8-12)9-13-6-3-11-4-7-13/h2,5,8,11H,3-4,6-7,9H2,1H3
InChIKeyBIHVRQZCGWIRSS-UHFFFAOYSA-N
XLogP0.43
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1-methylpyrrol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 82476514
[1-[(1-methylpyrrol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 115882586
5-(1-methylpyrrol-3-yl)-3-(piperazin-1-ylmethyl)-1,2-oxazole
CID 82295337
azane;1-benzylpiperazine
CID 174866973
5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one
CID 82510622
1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol
CID 82283971
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
5-(1-methylpyrrol-3-yl)-1-piperazin-1-ylpentan-1-one
CID 96676014
1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol
CID 82287228
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrol-3-yl)methyl]piperazine?
The IUPAC name of 1-[(1-methylpyrrol-3-yl)methyl]piperazine (CID 82280746) is 1-[(1-methylpyrrol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(1-methylpyrrol-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(1-methylpyrrol-3-yl)methyl]piperazine is Cn1ccc(CN2CCNCC2)c1.
What is the InChIKey of 1-[(1-methylpyrrol-3-yl)methyl]piperazine?
The InChIKey is BIHVRQZCGWIRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-5-2-10(8-12)9-13-6-3-11-4-7-13/h2,5,8,11H,3-4,6-7,9H2,1H3.
What are the key properties of 1-[(1-methylpyrrol-3-yl)methyl]piperazine?
1-[(1-methylpyrrol-3-yl)methyl]piperazine has a molecular weight of 179.27 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrol-3-yl)methyl]piperazine is sourced from PubChem (CID 82280746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).