(4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone

C11H16F3NO — CID 118155251

IUPAC(4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC1CCN(C(=O)C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H16F3NO/c1-8-2-6-15(7-3-8)9(16)10(4-5-10)11(12,13)14/h8H,2-7H2,1H3
InChIKeyWMORZKIGHALEPO-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.59
Rot. Bonds1

About (4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone

(4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 118155251) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID118155251
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name(4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC1CCN(C(=O)C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H16F3NO/c1-8-2-6-15(7-3-8)9(16)10(4-5-10)11(12,13)14/h8H,2-7H2,1H3
InChIKeyWMORZKIGHALEPO-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (CID 118155251) is (4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is CC1CCN(C(=O)C2(C(F)(F)F)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is WMORZKIGHALEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-8-2-6-15(7-3-8)9(16)10(4-5-10)11(12,13)14/h8H,2-7H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
(4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 235.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 118155251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).