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

C11H18F3NO — CID 66865643

IUPAC[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)10(3-4-10)8-15-5-1-9(7-16)2-6-15/h9,16H,1-8H2
InChIKeyDPPRJNIOMSCPPR-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.03
Rot. Bonds3

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

[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methanol (PubChem CID 66865643) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is [1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methanol
PubChem CID66865643
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)10(3-4-10)8-15-5-1-9(7-16)2-6-15/h9,16H,1-8H2
InChIKeyDPPRJNIOMSCPPR-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methanol (CID 66865643) is [1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methanol is OCC1CCN(CC2(C(F)(F)F)CC2)CC1.
What is the InChIKey of [1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methanol?
The InChIKey is DPPRJNIOMSCPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)10(3-4-10)8-15-5-1-9(7-16)2-6-15/h9,16H,1-8H2.
What are the key properties of [1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methanol?
[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methanol has a molecular weight of 237.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 66865643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).