1-(3-fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine

C16H29FN2O — CID 140709103

IUPAC1-(3-fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine
SMILESCC(C)C1CCC(N2CCN(C3COC3)CC2)CC1F
InChIInChI=1S/C16H29FN2O/c1-12(2)15-4-3-13(9-16(15)17)18-5-7-19(8-6-18)14-10-20-11-14/h12-16H,3-11H2,1-2H3
InChIKeyYZVQKPNYMLKUTD-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.17
Rot. Bonds3

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

1-(3-fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine (PubChem CID 140709103) has the molecular formula C16H29FN2O and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(3-fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-(3-fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine
PubChem CID140709103
Molecular FormulaC16H29FN2O
Molecular Weight284.42 g/mol
Exact Mass284.23
IUPAC Name1-(3-fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine
SMILESCC(C)C1CCC(N2CCN(C3COC3)CC2)CC1F
InChIInChI=1S/C16H29FN2O/c1-12(2)15-4-3-13(9-16(15)17)18-5-7-19(8-6-18)14-10-20-11-14/h12-16H,3-11H2,1-2H3
InChIKeyYZVQKPNYMLKUTD-UHFFFAOYSA-N
XLogP2.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
CID 130440259
(2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine
CID 171598564
4-(4-Propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane
CID 177029774
(2S)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 100748040
4-[(3,3-Difluorocyclohexyl)methyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 119038118
(2S)-4-[[(1S)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 124728278
(2R)-4-[[(1S)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 124728279
(2R)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 124728280
1-[4-Methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine
CID 147009928
1-[2-(Difluoromethyl)-4-methylcyclohexyl]-4-(oxetan-3-yl)piperazine
CID 149322096
4-(4-Propan-2-ylcyclohexyl)morpholine
CID 58344233
(2R)-2-methyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709121

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-(3-fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine (CID 140709103) is 1-(3-fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-(3-fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-(3-fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine is CC(C)C1CCC(N2CCN(C3COC3)CC2)CC1F.
What is the InChIKey of 1-(3-fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine?
The InChIKey is YZVQKPNYMLKUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2O/c1-12(2)15-4-3-13(9-16(15)17)18-5-7-19(8-6-18)14-10-20-11-14/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine?
1-(3-fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine has a molecular weight of 284.42 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 140709103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).