[1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol

C12H20F3NO2 — CID 169315033

IUPAC[1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol
SMILESCOC1(C(F)(F)F)CCN(CC2(CO)CC2)CC1
InChIInChI=1S/C12H20F3NO2/c1-18-11(12(13,14)15)4-6-16(7-5-11)8-10(9-17)2-3-10/h17H,2-9H2,1H3
InChIKeyUBSSPXANOYBSQM-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.80
Rot. Bonds4

About [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol

[1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol (PubChem CID 169315033) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol
PubChem CID169315033
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name[1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol
SMILESCOC1(C(F)(F)F)CCN(CC2(CO)CC2)CC1
InChIInChI=1S/C12H20F3NO2/c1-18-11(12(13,14)15)4-6-16(7-5-11)8-10(9-17)2-3-10/h17H,2-9H2,1H3
InChIKeyUBSSPXANOYBSQM-UHFFFAOYSA-N
XLogP1.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol (CID 169315033) is [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol is COC1(C(F)(F)F)CCN(CC2(CO)CC2)CC1.
What is the InChIKey of [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol?
The InChIKey is UBSSPXANOYBSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-18-11(12(13,14)15)4-6-16(7-5-11)8-10(9-17)2-3-10/h17H,2-9H2,1H3.
What are the key properties of [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol?
[1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol has a molecular weight of 267.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 169315033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).