[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol

C14H21F3N4O — CID 138026159

IUPAC[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol
SMILESOCC1(C(F)(F)F)CCN(Cc2nnc3n2CCCC3)CC1
InChIInChI=1S/C14H21F3N4O/c15-14(16,17)13(10-22)4-7-20(8-5-13)9-12-19-18-11-3-1-2-6-21(11)12/h22H,1-10H2
InChIKeyKKEMSJAVNYUDMS-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.75
Rot. Bonds3

About [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol

[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol (PubChem CID 138026159) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol
PubChem CID138026159
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol
SMILESOCC1(C(F)(F)F)CCN(Cc2nnc3n2CCCC3)CC1
InChIInChI=1S/C14H21F3N4O/c15-14(16,17)13(10-22)4-7-20(8-5-13)9-12-19-18-11-3-1-2-6-21(11)12/h22H,1-10H2
InChIKeyKKEMSJAVNYUDMS-UHFFFAOYSA-N
XLogP1.75
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol (CID 138026159) is [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol is OCC1(C(F)(F)F)CCN(Cc2nnc3n2CCCC3)CC1.
What is the InChIKey of [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol?
The InChIKey is KKEMSJAVNYUDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c15-14(16,17)13(10-22)4-7-20(8-5-13)9-12-19-18-11-3-1-2-6-21(11)12/h22H,1-10H2.
What are the key properties of [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol?
[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol has a molecular weight of 318.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 138026159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).