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

C10H14F3NO2 — CID 166513698

IUPAC(4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CCC(O)CC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)9(3-4-9)8(16)14-5-1-7(15)2-6-14/h7,15H,1-6H2
InChIKeyMTTDKKBNDAMNMY-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.31
Rot. Bonds1

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

(4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 166513698) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID166513698
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name(4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CCC(O)CC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)9(3-4-9)8(16)14-5-1-7(15)2-6-14/h7,15H,1-6H2
InChIKeyMTTDKKBNDAMNMY-UHFFFAOYSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
CID 130382404
[(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 175876207
[4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
CID 166513702
(3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 166513724
1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
CID 175285784
1-(4-hydroxypiperidine-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709982
(2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883903
(3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 58054361
(3-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
CID 166513714
[(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
CID 166513712
1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750157
2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 126750235

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (CID 166513698) is (4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is O=C(N1CCC(O)CC1)C1(C(F)(F)F)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is MTTDKKBNDAMNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c11-10(12,13)9(3-4-9)8(16)14-5-1-7(15)2-6-14/h7,15H,1-6H2.
What are the key properties of (4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
(4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 237.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 166513698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).