4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine

C13H22N4O — CID 114698093

IUPAC4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine
SMILESCC1Cc2[nH]nc(NC3CCNCC3)c2C(C)O1
InChIInChI=1S/C13H22N4O/c1-8-7-11-12(9(2)18-8)13(17-16-11)15-10-3-5-14-6-4-10/h8-10,14H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyANIDKTKSSBKQPI-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.60
Rot. Bonds2

About 4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine

4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine (PubChem CID 114698093) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine
PubChem CID114698093
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine
SMILESCC1Cc2[nH]nc(NC3CCNCC3)c2C(C)O1
InChIInChI=1S/C13H22N4O/c1-8-7-11-12(9(2)18-8)13(17-16-11)15-10-3-5-14-6-4-10/h8-10,14H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyANIDKTKSSBKQPI-UHFFFAOYSA-N
XLogP1.60
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine?
The IUPAC name of 4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine (CID 114698093) is 4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine.
What is the SMILES notation for 4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine?
The canonical SMILES for 4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine is CC1Cc2[nH]nc(NC3CCNCC3)c2C(C)O1.
What is the InChIKey of 4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine?
The InChIKey is ANIDKTKSSBKQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8-7-11-12(9(2)18-8)13(17-16-11)15-10-3-5-14-6-4-10/h8-10,14H,3-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine?
4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine has a molecular weight of 250.35 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-piperidin-4-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-amine is sourced from PubChem (CID 114698093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).