3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane

C14H27F2NO — CID 169228774

IUPAC3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane
SMILESCC.COCC1(CN2CCC(C)C(F)(F)C2)CC1
InChIInChI=1S/C12H21F2NO.C2H6/c1-10-3-6-15(8-12(10,13)14)7-11(4-5-11)9-16-2;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyWLOUGJLXQXOYBN-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.42
Rot. Bonds4

About 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane

3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane (PubChem CID 169228774) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane.

Molecular Properties

Compound Name3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane
PubChem CID169228774
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane
SMILESCC.COCC1(CN2CCC(C)C(F)(F)C2)CC1
InChIInChI=1S/C12H21F2NO.C2H6/c1-10-3-6-15(8-12(10,13)14)7-11(4-5-11)9-16-2;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyWLOUGJLXQXOYBN-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane?
The IUPAC name of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane (CID 169228774) is 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane.
What is the SMILES notation for 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane?
The canonical SMILES for 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane is CC.COCC1(CN2CCC(C)C(F)(F)C2)CC1.
What is the InChIKey of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane?
The InChIKey is WLOUGJLXQXOYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO.C2H6/c1-10-3-6-15(8-12(10,13)14)7-11(4-5-11)9-16-2;1-2/h10H,3-9H2,1-2H3;1-2H3.
What are the key properties of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane?
3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane has a molecular weight of 263.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane is sourced from PubChem (CID 169228774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).