1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine

C17H32N2O — CID 140709133

IUPAC1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(CC3COC3)CC2)CC1
InChIInChI=1S/C17H32N2O/c1-14(2)16-3-5-17(6-4-16)19-9-7-18(8-10-19)11-15-12-20-13-15/h14-17H,3-13H2,1-2H3
InChIKeyCAZLEMCIYFKKPM-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.47
Rot. Bonds4

About 1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine

1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine (PubChem CID 140709133) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
PubChem CID140709133
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(CC3COC3)CC2)CC1
InChIInChI=1S/C17H32N2O/c1-14(2)16-3-5-17(6-4-16)19-9-7-18(8-10-19)11-15-12-20-13-15/h14-17H,3-13H2,1-2H3
InChIKeyCAZLEMCIYFKKPM-UHFFFAOYSA-N
XLogP2.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine
CID 140709103
(2R)-2-methyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709121
1-(3-Methyloxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709124
1-(Oxan-4-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709127
7-(4-Propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane
CID 140709131
(2S)-2-methyl-4-(oxetan-3-yl)-1-(4-propan-2-ylcyclohexyl)piperazine
CID 140709140
(2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709152
(2R)-2-methyl-4-(oxetan-3-yl)-1-(4-propan-2-ylcyclohexyl)piperazine
CID 140709158
1-[3-Methyl-4-(1-propan-2-ylpiperidin-3-yl)butan-2-yl]-4-(oxetan-3-yl)piperazine
CID 169809460
(2R)-1-[(4-ethylcyclohexyl)methyl]-2-(methoxymethyl)-4-methylpiperazine
CID 170952956
Butan-2-ylcyclohexane;2-(methoxymethyl)-1-methyl-4-propan-2-ylpiperazine
CID 170953550
Ethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane
CID 170953727

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The IUPAC name of 1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine (CID 140709133) is 1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine.
What is the SMILES notation for 1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The canonical SMILES for 1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine is CC(C)C1CCC(N2CCN(CC3COC3)CC2)CC1.
What is the InChIKey of 1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The InChIKey is CAZLEMCIYFKKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14(2)16-3-5-17(6-4-16)19-9-7-18(8-10-19)11-15-12-20-13-15/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine has a molecular weight of 280.46 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine is sourced from PubChem (CID 140709133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).