ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine

C16H33N3O — CID 162741775

IUPACethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine
SMILESCC.CN1CCC(CN2CCN(C3COC3)CC2)CC1
InChIInChI=1S/C14H27N3O.C2H6/c1-15-4-2-13(3-5-15)10-16-6-8-17(9-7-16)14-11-18-12-14;1-2/h13-14H,2-12H2,1H3;1-2H3
InChIKeyYGBMCLIMAZHTSQ-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.37
Rot. Bonds3

About ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine

ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine (PubChem CID 162741775) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Nameethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine
PubChem CID162741775
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Nameethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine
SMILESCC.CN1CCC(CN2CCN(C3COC3)CC2)CC1
InChIInChI=1S/C14H27N3O.C2H6/c1-15-4-2-13(3-5-15)10-16-6-8-17(9-7-16)14-11-18-12-14;1-2/h13-14H,2-12H2,1H3;1-2H3
InChIKeyYGBMCLIMAZHTSQ-UHFFFAOYSA-N
XLogP1.37
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Fluoro-1-[2-methyl-2-[1-(oxetan-3-yl)piperidin-4-yl]propyl]-4-propan-2-ylpiperidine
CID 169564687
4-[1-(1-Tert-butylpiperidin-4-yl)ethyl]morpholine
CID 21029386
4-[2-(4-Methylpiperidin-1-yl)ethyl]morpholine
CID 52114094
4-[(1-Propan-2-ylpiperidin-4-yl)methyl]morpholine
CID 53520827
4-[2-(1-Propan-2-ylpiperidin-4-yl)ethyl]morpholine
CID 57829951
2-(2-Methoxyethyl)-2-azabicyclo[3.1.1]heptane
CID 57979662
4-(1-Methylpiperidin-3-yl)-2-propan-2-ylmorpholine
CID 58468974
4-[(3S,4S)-2,5-dimethyl-4-morpholin-4-ylhexan-3-yl]morpholine
CID 59567141
4-[1-(1-Propan-2-ylpiperidin-4-yl)ethyl]morpholine
CID 60006813
3-methyl-4-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]morpholine
CID 66580906
3-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]morpholine
CID 66580909
4-[1-(1-Ethylpiperidin-4-yl)ethyl]morpholine
CID 71102732

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine?
The IUPAC name of ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine (CID 162741775) is ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine?
The canonical SMILES for ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine is CC.CN1CCC(CN2CCN(C3COC3)CC2)CC1.
What is the InChIKey of ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine?
The InChIKey is YGBMCLIMAZHTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.C2H6/c1-15-4-2-13(3-5-15)10-16-6-8-17(9-7-16)14-11-18-12-14;1-2/h13-14H,2-12H2,1H3;1-2H3.
What are the key properties of ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine?
ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine has a molecular weight of 283.46 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 162741775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).