3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine

C14H28N2O — CID 63979023

IUPAC3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine
SMILESCOCC1CCN(CC2(C)CCCNC2)CC1
InChIInChI=1S/C14H28N2O/c1-14(6-3-7-15-11-14)12-16-8-4-13(5-9-16)10-17-2/h13,15H,3-12H2,1-2H3
InChIKeyBROQQOBMHRIOAG-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds4

About 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine

3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine (PubChem CID 63979023) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine.

Molecular Properties

Compound Name3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine
PubChem CID63979023
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine
SMILESCOCC1CCN(CC2(C)CCCNC2)CC1
InChIInChI=1S/C14H28N2O/c1-14(6-3-7-15-11-14)12-16-8-4-13(5-9-16)10-17-2/h13,15H,3-12H2,1-2H3
InChIKeyBROQQOBMHRIOAG-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine?
The IUPAC name of 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine (CID 63979023) is 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine.
What is the SMILES notation for 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine?
The canonical SMILES for 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine is COCC1CCN(CC2(C)CCCNC2)CC1.
What is the InChIKey of 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine?
The InChIKey is BROQQOBMHRIOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(6-3-7-15-11-14)12-16-8-4-13(5-9-16)10-17-2/h13,15H,3-12H2,1-2H3.
What are the key properties of 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine?
3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine is sourced from PubChem (CID 63979023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).