[1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane

C14H27F2NO — CID 178038144

IUPAC[1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane
SMILESC.CC.OCC1(CN2CCC(=C(F)F)CC2)CC1
InChIInChI=1S/C11H17F2NO.C2H6.CH4/c12-10(13)9-1-5-14(6-2-9)7-11(8-15)3-4-11;1-2;/h15H,1-8H2;1-2H3;1H4
InChIKeyZKJBURRXAUIQIA-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.67
Rot. Bonds3

About [1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane

[1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane (PubChem CID 178038144) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is [1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane.

Molecular Properties

Compound Name[1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane
PubChem CID178038144
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name[1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane
SMILESC.CC.OCC1(CN2CCC(=C(F)F)CC2)CC1
InChIInChI=1S/C11H17F2NO.C2H6.CH4/c12-10(13)9-1-5-14(6-2-9)7-11(8-15)3-4-11;1-2;/h15H,1-8H2;1-2H3;1H4
InChIKeyZKJBURRXAUIQIA-UHFFFAOYSA-N
XLogP3.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane?
The IUPAC name of [1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane (CID 178038144) is [1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane.
What is the SMILES notation for [1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane?
The canonical SMILES for [1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane is C.CC.OCC1(CN2CCC(=C(F)F)CC2)CC1.
What is the InChIKey of [1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane?
The InChIKey is ZKJBURRXAUIQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO.C2H6.CH4/c12-10(13)9-1-5-14(6-2-9)7-11(8-15)3-4-11;1-2;/h15H,1-8H2;1-2H3;1H4.
What are the key properties of [1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane?
[1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane has a molecular weight of 263.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(difluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol;ethane;methane is sourced from PubChem (CID 178038144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).