4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol

C16H21F3N2O2 — CID 176695660

IUPAC4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(C(c2ccc(OC(F)(F)F)cn2)C2CC2)CC1
InChIInChI=1S/C16H21F3N2O2/c1-21-8-6-15(22,7-9-21)14(11-2-3-11)13-5-4-12(10-20-13)23-16(17,18)19/h4-5,10-11,14,22H,2-3,6-9H2,1H3
InChIKeyOOJSXMREGHMBKS-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.93
Rot. Bonds4

About 4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol

4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol (PubChem CID 176695660) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol
PubChem CID176695660
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(C(c2ccc(OC(F)(F)F)cn2)C2CC2)CC1
InChIInChI=1S/C16H21F3N2O2/c1-21-8-6-15(22,7-9-21)14(11-2-3-11)13-5-4-12(10-20-13)23-16(17,18)19/h4-5,10-11,14,22H,2-3,6-9H2,1H3
InChIKeyOOJSXMREGHMBKS-UHFFFAOYSA-N
XLogP2.93
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol (CID 176695660) is 4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol is CN1CCC(O)(C(c2ccc(OC(F)(F)F)cn2)C2CC2)CC1.
What is the InChIKey of 4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol?
The InChIKey is OOJSXMREGHMBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-21-8-6-15(22,7-9-21)14(11-2-3-11)13-5-4-12(10-20-13)23-16(17,18)19/h4-5,10-11,14,22H,2-3,6-9H2,1H3.
What are the key properties of 4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol?
4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol has a molecular weight of 330.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 176695660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).