1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol

C12H14ClF3N2O — CID 115871414

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C12H14ClF3N2O/c1-11(19)3-2-4-18(7-11)10-9(13)5-8(6-17-10)12(14,15)16/h5-6,19H,2-4,7H2,1H3
InChIKeyULNVZLXQVRVKTC-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.11
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol (PubChem CID 115871414) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
PubChem CID115871414
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C12H14ClF3N2O/c1-11(19)3-2-4-18(7-11)10-9(13)5-8(6-17-10)12(14,15)16/h5-6,19H,2-4,7H2,1H3
InChIKeyULNVZLXQVRVKTC-UHFFFAOYSA-N
XLogP3.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103725154
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide
CID 100647448
1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 103878214
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
CID 102716221
9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one
CID 11524500
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779306
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133365007
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
CID 78781777
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone
CID 31940111
2-[3-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80673381
N-tert-butyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 166600949

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol (CID 115871414) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol is CC1(O)CCCN(c2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol?
The InChIKey is ULNVZLXQVRVKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-11(19)3-2-4-18(7-11)10-9(13)5-8(6-17-10)12(14,15)16/h5-6,19H,2-4,7H2,1H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol has a molecular weight of 294.70 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 115871414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).