1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol

C12H14ClF3N2O — CID 102716221

IUPAC1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2cc(C(F)(F)F)cc(Cl)n2)C1
InChIInChI=1S/C12H14ClF3N2O/c1-11(19)3-2-4-18(7-11)10-6-8(12(14,15)16)5-9(13)17-10/h5-6,19H,2-4,7H2,1H3
InChIKeyQHPMNWVPPJPZCN-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.11
Rot. Bonds1

About 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol

1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol (PubChem CID 102716221) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
PubChem CID102716221
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2cc(C(F)(F)F)cc(Cl)n2)C1
InChIInChI=1S/C12H14ClF3N2O/c1-11(19)3-2-4-18(7-11)10-6-8(12(14,15)16)5-9(13)17-10/h5-6,19H,2-4,7H2,1H3
InChIKeyQHPMNWVPPJPZCN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol (CID 102716221) is 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol is CC1(O)CCCN(c2cc(C(F)(F)F)cc(Cl)n2)C1.
What is the InChIKey of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol?
The InChIKey is QHPMNWVPPJPZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-11(19)3-2-4-18(7-11)10-6-8(12(14,15)16)5-9(13)17-10/h5-6,19H,2-4,7H2,1H3.
What are the key properties of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol?
1-[6-chloro-4-(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-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 102716221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).