ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine

C15H30N2 — CID 91221169

IUPACethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine
SMILESCC.CC.CC1C=CC(N2CCN(C)CC2)=C1
InChIInChI=1S/C11H18N2.2C2H6/c1-10-3-4-11(9-10)13-7-5-12(2)6-8-13;2*1-2/h3-4,9-10H,5-8H2,1-2H3;2*1-2H3
InChIKeyWUXKILVTRAWZCV-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.38
Rot. Bonds1

About ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine

ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine (PubChem CID 91221169) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine
PubChem CID91221169
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Nameethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine
SMILESCC.CC.CC1C=CC(N2CCN(C)CC2)=C1
InChIInChI=1S/C11H18N2.2C2H6/c1-10-3-4-11(9-10)13-7-5-12(2)6-8-13;2*1-2/h3-4,9-10H,5-8H2,1-2H3;2*1-2H3
InChIKeyWUXKILVTRAWZCV-UHFFFAOYSA-N
XLogP3.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine?
The IUPAC name of ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine (CID 91221169) is ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine.
What is the SMILES notation for ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine?
The canonical SMILES for ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine is CC.CC.CC1C=CC(N2CCN(C)CC2)=C1.
What is the InChIKey of ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine?
The InChIKey is WUXKILVTRAWZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.2C2H6/c1-10-3-4-11(9-10)13-7-5-12(2)6-8-13;2*1-2/h3-4,9-10H,5-8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine?
ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine has a molecular weight of 238.42 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine is sourced from PubChem (CID 91221169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).