3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C17H18F3N3O — CID 68637170

IUPAC3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESNC1CN(c2ccccn2)CCC1(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)13-5-3-4-12(10-13)16(24)7-9-23(11-14(16)21)15-6-1-2-8-22-15/h1-6,8,10,14,24H,7,9,11,21H2
InChIKeySNCJBGNIRNOLQU-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.53
Rot. Bonds2

About 3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 68637170) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID68637170
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESNC1CN(c2ccccn2)CCC1(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)13-5-3-4-12(10-13)16(24)7-9-23(11-14(16)21)15-6-1-2-8-22-15/h1-6,8,10,14,24H,7,9,11,21H2
InChIKeySNCJBGNIRNOLQU-UHFFFAOYSA-N
XLogP2.53
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 68637170) is 3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is NC1CN(c2ccccn2)CCC1(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is SNCJBGNIRNOLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c18-17(19,20)13-5-3-4-12(10-13)16(24)7-9-23(11-14(16)21)15-6-1-2-8-22-15/h1-6,8,10,14,24H,7,9,11,21H2.
What are the key properties of 3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 337.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 68637170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).