3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine

C13H27NO — CID 171506094

IUPAC3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine
SMILESCOCC1CN(C(C)C)CCC1C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)13-6-7-14(11(3)4)8-12(13)9-15-5/h10-13H,6-9H2,1-5H3
InChIKeyFVYXCIAEQVUOFU-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.64
Rot. Bonds4

About 3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine

3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine (PubChem CID 171506094) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is 3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine
PubChem CID171506094
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine
SMILESCOCC1CN(C(C)C)CCC1C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)13-6-7-14(11(3)4)8-12(13)9-15-5/h10-13H,6-9H2,1-5H3
InChIKeyFVYXCIAEQVUOFU-UHFFFAOYSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine?
The IUPAC name of 3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine (CID 171506094) is 3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine?
The canonical SMILES for 3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine is COCC1CN(C(C)C)CCC1C(C)C.
What is the InChIKey of 3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine?
The InChIKey is FVYXCIAEQVUOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)13-6-7-14(11(3)4)8-12(13)9-15-5/h10-13H,6-9H2,1-5H3.
What are the key properties of 3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine?
3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine has a molecular weight of 213.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 171506094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).