3-(oxan-4-ylmethoxymethyl)piperidine

C12H23NO2 — CID 62383187

IUPAC3-(oxan-4-ylmethoxymethyl)piperidine
SMILESC1CNCC(COCC2CCOCC2)C1
InChIInChI=1S/C12H23NO2/c1-2-12(8-13-5-1)10-15-9-11-3-6-14-7-4-11/h11-13H,1-10H2
InChIKeyBKFKEPAAVRLPPW-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.43
Rot. Bonds4

About 3-(oxan-4-ylmethoxymethyl)piperidine

3-(oxan-4-ylmethoxymethyl)piperidine (PubChem CID 62383187) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(oxan-4-ylmethoxymethyl)piperidine.

Molecular Properties

Compound Name3-(oxan-4-ylmethoxymethyl)piperidine
PubChem CID62383187
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(oxan-4-ylmethoxymethyl)piperidine
SMILESC1CNCC(COCC2CCOCC2)C1
InChIInChI=1S/C12H23NO2/c1-2-12(8-13-5-1)10-15-9-11-3-6-14-7-4-11/h11-13H,1-10H2
InChIKeyBKFKEPAAVRLPPW-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylmethoxymethoxymethyl)piperidine
CID 106937752
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
N-(oxan-4-yl)-2-(piperidin-3-ylmethoxy)acetamide
CID 63098360
3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
CID 126845728
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071
3-[2-(cyclobutylmethoxy)ethyl]piperidine
CID 56830620
3-(oxolan-3-ylmethyl)piperidine
CID 63563820
3-[(2,2-difluorocyclopropyl)methoxymethyl]piperidine
CID 126845147
2-(oxolan-3-ylmethoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119464672
2-(oxan-4-ylmethoxymethyl)piperidine
CID 62383000

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethoxymethyl)piperidine?
The IUPAC name of 3-(oxan-4-ylmethoxymethyl)piperidine (CID 62383187) is 3-(oxan-4-ylmethoxymethyl)piperidine.
What is the SMILES notation for 3-(oxan-4-ylmethoxymethyl)piperidine?
The canonical SMILES for 3-(oxan-4-ylmethoxymethyl)piperidine is C1CNCC(COCC2CCOCC2)C1.
What is the InChIKey of 3-(oxan-4-ylmethoxymethyl)piperidine?
The InChIKey is BKFKEPAAVRLPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-12(8-13-5-1)10-15-9-11-3-6-14-7-4-11/h11-13H,1-10H2.
What are the key properties of 3-(oxan-4-ylmethoxymethyl)piperidine?
3-(oxan-4-ylmethoxymethyl)piperidine has a molecular weight of 213.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethoxymethyl)piperidine is sourced from PubChem (CID 62383187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).