1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine

C16H32N2 — CID 129119921

IUPAC1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine
SMILESCC1(N2CCN(C(C)(C)C(C)(C)C)CC2)CCC1
InChIInChI=1S/C16H32N2/c1-14(2,3)15(4,5)17-10-12-18(13-11-17)16(6)8-7-9-16/h7-13H2,1-6H3
InChIKeyRMJBUHKHFXANFV-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.37
Rot. Bonds2

About 1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine

1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine (PubChem CID 129119921) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine.

Molecular Properties

Compound Name1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine
PubChem CID129119921
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine
SMILESCC1(N2CCN(C(C)(C)C(C)(C)C)CC2)CCC1
InChIInChI=1S/C16H32N2/c1-14(2,3)15(4,5)17-10-12-18(13-11-17)16(6)8-7-9-16/h7-13H2,1-6H3
InChIKeyRMJBUHKHFXANFV-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine?
The IUPAC name of 1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine (CID 129119921) is 1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine.
What is the SMILES notation for 1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine?
The canonical SMILES for 1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine is CC1(N2CCN(C(C)(C)C(C)(C)C)CC2)CCC1.
What is the InChIKey of 1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine?
The InChIKey is RMJBUHKHFXANFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(2,3)15(4,5)17-10-12-18(13-11-17)16(6)8-7-9-16/h7-13H2,1-6H3.
What are the key properties of 1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine?
1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine has a molecular weight of 252.45 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclobutyl)-4-(2,3,3-trimethylbutan-2-yl)piperazine is sourced from PubChem (CID 129119921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).