[1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol

C12H20F3NO — CID 169255370

IUPAC[1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol
SMILESOCC1(CN2CCC(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)7-10-1-5-16(6-2-10)8-11(9-17)3-4-11/h10,17H,1-9H2
InChIKeyMVDGKIYIFBTPSC-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.42
Rot. Bonds4

About [1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol

[1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol (PubChem CID 169255370) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is [1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol
PubChem CID169255370
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name[1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol
SMILESOCC1(CN2CCC(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)7-10-1-5-16(6-2-10)8-11(9-17)3-4-11/h10,17H,1-9H2
InChIKeyMVDGKIYIFBTPSC-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol (CID 169255370) is [1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol is OCC1(CN2CCC(CC(F)(F)F)CC2)CC1.
What is the InChIKey of [1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol?
The InChIKey is MVDGKIYIFBTPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)7-10-1-5-16(6-2-10)8-11(9-17)3-4-11/h10,17H,1-9H2.
What are the key properties of [1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol?
[1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol has a molecular weight of 251.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 169255370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).