5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine

C18H34N2O — CID 64860212

IUPAC5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine
SMILESCCC1(CC)CNC(C)(C2CC2)CN1CC1CCOCC1
InChIInChI=1S/C18H34N2O/c1-4-18(5-2)13-19-17(3,16-6-7-16)14-20(18)12-15-8-10-21-11-9-15/h15-16,19H,4-14H2,1-3H3
InChIKeyAPCNLJFVVLJHOH-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.05
Rot. Bonds5

About 5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine

5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine (PubChem CID 64860212) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine
PubChem CID64860212
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine
SMILESCCC1(CC)CNC(C)(C2CC2)CN1CC1CCOCC1
InChIInChI=1S/C18H34N2O/c1-4-18(5-2)13-19-17(3,16-6-7-16)14-20(18)12-15-8-10-21-11-9-15/h15-16,19H,4-14H2,1-3H3
InChIKeyAPCNLJFVVLJHOH-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine
CID 80697138
5-cyclopropyl-1-(3-ethoxypropyl)-2,2-diethyl-5-methylpiperazine
CID 65177697
5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine
CID 104650286
5-cyclopropyl-2,2-diethyl-1,5-dimethylpiperazine
CID 64860018
3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64832698
2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64846119
3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
CID 64870613
2,5-dicyclopropyl-1-ethyl-2,5-dimethylpiperazine
CID 64859833
2-cyclopropyl-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine
CID 64844581
2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64843041
2,5-dicyclopropyl-2,5-dimethyl-1-(oxan-2-ylmethyl)piperazine
CID 64861372
5-cyclopropyl-1-(2-methoxypropyl)-2,2,5-trimethylpiperazine
CID 113383050

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine?
The IUPAC name of 5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine (CID 64860212) is 5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine is CCC1(CC)CNC(C)(C2CC2)CN1CC1CCOCC1.
What is the InChIKey of 5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine?
The InChIKey is APCNLJFVVLJHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-18(5-2)13-19-17(3,16-6-7-16)14-20(18)12-15-8-10-21-11-9-15/h15-16,19H,4-14H2,1-3H3.
What are the key properties of 5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine?
5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine has a molecular weight of 294.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine is sourced from PubChem (CID 64860212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).