1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine

C19H36N2 — CID 177134711

IUPAC1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine
SMILESCCC1CCC(CN2CCN(C3CC(CC)C3)CC2)CC1
InChIInChI=1S/C19H36N2/c1-3-16-5-7-18(8-6-16)15-20-9-11-21(12-10-20)19-13-17(4-2)14-19/h16-19H,3-15H2,1-2H3
InChIKeyDADWWRSWLXWMNV-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.01
Rot. Bonds5

About 1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine

1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine (PubChem CID 177134711) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine
PubChem CID177134711
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine
SMILESCCC1CCC(CN2CCN(C3CC(CC)C3)CC2)CC1
InChIInChI=1S/C19H36N2/c1-3-16-5-7-18(8-6-16)15-20-9-11-21(12-10-20)19-13-17(4-2)14-19/h16-19H,3-15H2,1-2H3
InChIKeyDADWWRSWLXWMNV-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-4-(3-cyclohexylpropyl)piperazine
CID 44598132
1-Ethyl-4-(4-ethylcyclohexyl)piperazine
CID 782189
1-(4-Tert-butylcyclohexyl)-4-ethylpiperazine
CID 784591
4-Butyl-1-propan-2-yl-2-(trifluoromethyl)piperazine;1-methyl-4-(2-methylpropyl)cyclohexane
CID 170569162
1-[2,2-Difluoro-3-[4-(2-methylpropyl)cyclohexyl]propyl]-4-propan-2-ylpiperazine
CID 170569323
1-[4-[4-(2-Methylpropyl)cyclohexyl]butyl]-4-propan-2-yl-2-(trifluoromethyl)piperazine
CID 170569332
1-Butyl-4-ethyl-2-(trifluoromethyl)piperazine;1-methyl-4-propylcyclohexane
CID 170569388
4-[3-[4-(2-Methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine
CID 170569518
4-[4-[4-(2-Methylpropyl)cyclohexyl]butyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine
CID 170569578
1-Butyl-4-propan-2-yl-2-(trifluoromethyl)piperazine;1-methyl-4-(2-methylpropyl)cyclohexane
CID 170569621
1-[(4-Ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine
CID 170953594
1-[(1-Fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine
CID 171598690

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine?
The IUPAC name of 1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine (CID 177134711) is 1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine.
What is the SMILES notation for 1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine?
The canonical SMILES for 1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine is CCC1CCC(CN2CCN(C3CC(CC)C3)CC2)CC1.
What is the InChIKey of 1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine?
The InChIKey is DADWWRSWLXWMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-3-16-5-7-18(8-6-16)15-20-9-11-21(12-10-20)19-13-17(4-2)14-19/h16-19H,3-15H2,1-2H3.
What are the key properties of 1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine?
1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine has a molecular weight of 292.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine is sourced from PubChem (CID 177134711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).