6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol

C16H22N4O2 — CID 14674146

IUPAC6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol
SMILESCC1(C)Oc2cc3n[nH]nc3cc2C(N2CCCCC2)C1O
InChIInChI=1S/C16H22N4O2/c1-16(2)15(21)14(20-6-4-3-5-7-20)10-8-11-12(18-19-17-11)9-13(10)22-16/h8-9,14-15,21H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyISUCHFOIWLTYNN-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.02
Rot. Bonds1

About 6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol

6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol (PubChem CID 14674146) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol.

Molecular Properties

Compound Name6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol
PubChem CID14674146
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol
SMILESCC1(C)Oc2cc3n[nH]nc3cc2C(N2CCCCC2)C1O
InChIInChI=1S/C16H22N4O2/c1-16(2)15(21)14(20-6-4-3-5-7-20)10-8-11-12(18-19-17-11)9-13(10)22-16/h8-9,14-15,21H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyISUCHFOIWLTYNN-UHFFFAOYSA-N
XLogP2.02
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol?
The IUPAC name of 6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol (CID 14674146) is 6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol.
What is the SMILES notation for 6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol?
The canonical SMILES for 6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol is CC1(C)Oc2cc3n[nH]nc3cc2C(N2CCCCC2)C1O.
What is the InChIKey of 6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol?
The InChIKey is ISUCHFOIWLTYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2)15(21)14(20-6-4-3-5-7-20)10-8-11-12(18-19-17-11)9-13(10)22-16/h8-9,14-15,21H,3-7H2,1-2H3,(H,17,18,19).
What are the key properties of 6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol?
6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol has a molecular weight of 302.38 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-8-piperidin-1-yl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol is sourced from PubChem (CID 14674146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).