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

C14H26N2O — CID 145006333

IUPAC4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine
SMILESCC1CCN(C2CCN(C3COC3)CC2)CC1
InChIInChI=1S/C14H26N2O/c1-12-2-6-15(7-3-12)13-4-8-16(9-5-13)14-10-17-11-14/h12-14H,2-11H2,1H3
InChIKeyUXHLNSVFMIHNAR-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.58
Rot. Bonds2

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

4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine (PubChem CID 145006333) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine
PubChem CID145006333
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine
SMILESCC1CCN(C2CCN(C3COC3)CC2)CC1
InChIInChI=1S/C14H26N2O/c1-12-2-6-15(7-3-12)13-4-8-16(9-5-13)14-10-17-11-14/h12-14H,2-11H2,1H3
InChIKeyUXHLNSVFMIHNAR-UHFFFAOYSA-N
XLogP1.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine?
The IUPAC name of 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine (CID 145006333) is 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine.
What is the SMILES notation for 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine?
The canonical SMILES for 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine is CC1CCN(C2CCN(C3COC3)CC2)CC1.
What is the InChIKey of 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine?
The InChIKey is UXHLNSVFMIHNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12-2-6-15(7-3-12)13-4-8-16(9-5-13)14-10-17-11-14/h12-14H,2-11H2,1H3.
What are the key properties of 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine?
4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine has a molecular weight of 238.37 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine is sourced from PubChem (CID 145006333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).