ethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine

C14H29N3 — CID 91588083

IUPACethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine
SMILESCC.CC.CN1CCN(c2ccn(C)c2)CC1
InChIInChI=1S/C10H17N3.2C2H6/c1-11-5-7-13(8-6-11)10-3-4-12(2)9-10;2*1-2/h3-4,9H,5-8H2,1-2H3;2*1-2H3
InChIKeyOXXZMKROGBJJHJ-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.83
Rot. Bonds1

About ethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine

ethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine (PubChem CID 91588083) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is ethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine
PubChem CID91588083
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Nameethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine
SMILESCC.CC.CN1CCN(c2ccn(C)c2)CC1
InChIInChI=1S/C10H17N3.2C2H6/c1-11-5-7-13(8-6-11)10-3-4-12(2)9-10;2*1-2/h3-4,9H,5-8H2,1-2H3;2*1-2H3
InChIKeyOXXZMKROGBJJHJ-UHFFFAOYSA-N
XLogP2.83
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethane;1-methyl-4-pyridin-3-ylpiperazine
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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine?
The IUPAC name of ethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine (CID 91588083) is ethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine.
What is the SMILES notation for ethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine?
The canonical SMILES for ethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine is CC.CC.CN1CCN(c2ccn(C)c2)CC1.
What is the InChIKey of ethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine?
The InChIKey is OXXZMKROGBJJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.2C2H6/c1-11-5-7-13(8-6-11)10-3-4-12(2)9-10;2*1-2/h3-4,9H,5-8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine?
ethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine has a molecular weight of 239.41 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine is sourced from PubChem (CID 91588083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).