ethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine

C16H32N2O — CID 145006332

IUPACethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine
SMILESCC.CC1CCN(C2CCN(C3COC3)CC2)CC1
InChIInChI=1S/C14H26N2O.C2H6/c1-12-2-6-15(7-3-12)13-4-8-16(9-5-13)14-10-17-11-14;1-2/h12-14H,2-11H2,1H3;1-2H3
InChIKeyICKRQVKPNROQRO-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.61
Rot. Bonds2

About ethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine

ethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine (PubChem CID 145006332) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is ethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine.

Molecular Properties

Compound Nameethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine
PubChem CID145006332
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Nameethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine
SMILESCC.CC1CCN(C2CCN(C3COC3)CC2)CC1
InChIInChI=1S/C14H26N2O.C2H6/c1-12-2-6-15(7-3-12)13-4-8-16(9-5-13)14-10-17-11-14;1-2/h12-14H,2-11H2,1H3;1-2H3
InChIKeyICKRQVKPNROQRO-UHFFFAOYSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Difluoro-3-methyl-1-(oxetan-3-yl)piperidine;4,4-difluoro-3-methyl-1-propan-2-ylpiperidine;ethane
CID 145332669
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-[1-(2-Methylpropyl)piperidin-4-yl]morpholine
CID 39794133
4-[(1-Propan-2-ylpiperidin-4-yl)methyl]morpholine
CID 53520827
4-[2-(1-Propan-2-ylpiperidin-4-yl)ethyl]morpholine
CID 57829951
4-Methyl-1-(oxetan-3-yl)piperidine
CID 57973935
2-(2-Methoxyethyl)-2-azabicyclo[3.1.1]heptane
CID 57979662
4-(1-Methylpiperidin-4-yl)-2-propan-2-ylmorpholine
CID 58468760
4-[1-(1-Propan-2-ylpiperidin-4-yl)ethyl]morpholine
CID 60006813
4-Ethyl-1-(oxetan-3-yl)piperidine
CID 68260795
4-[3-(4-Methylpiperidin-1-yl)propyl]morpholine
CID 69022511

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine?
The IUPAC name of ethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine (CID 145006332) is ethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine.
What is the SMILES notation for ethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine?
The canonical SMILES for ethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine is CC.CC1CCN(C2CCN(C3COC3)CC2)CC1.
What is the InChIKey of ethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine?
The InChIKey is ICKRQVKPNROQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.C2H6/c1-12-2-6-15(7-3-12)13-4-8-16(9-5-13)14-10-17-11-14;1-2/h12-14H,2-11H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine?
ethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine has a molecular weight of 268.44 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine is sourced from PubChem (CID 145006332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).