1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine

C18H34N2 — CID 82936095

IUPAC1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CNC(C)(C2CC2)CN1C1CCCCCC1
InChIInChI=1S/C18H34N2/c1-4-17(2)13-19-18(3,15-11-12-15)14-20(17)16-9-7-5-6-8-10-16/h15-16,19H,4-14H2,1-3H3
InChIKeyGTDNTPIKHVVUCX-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.95
Rot. Bonds3

About 1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine

1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine (PubChem CID 82936095) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
PubChem CID82936095
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CNC(C)(C2CC2)CN1C1CCCCCC1
InChIInChI=1S/C18H34N2/c1-4-17(2)13-19-18(3,15-11-12-15)14-20(17)16-9-7-5-6-8-10-16/h15-16,19H,4-14H2,1-3H3
InChIKeyGTDNTPIKHVVUCX-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine (CID 82936095) is 1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine is CCC1(C)CNC(C)(C2CC2)CN1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
The InChIKey is GTDNTPIKHVVUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-4-17(2)13-19-18(3,15-11-12-15)14-20(17)16-9-7-5-6-8-10-16/h15-16,19H,4-14H2,1-3H3.
What are the key properties of 1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine has a molecular weight of 278.48 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 82936095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).