1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine

C14H24N4O — CID 176515403

IUPAC1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine
SMILESCCn1nc(CN2CCC(N)CC2)c2c1CCOC2
InChIInChI=1S/C14H24N4O/c1-2-18-14-5-8-19-10-12(14)13(16-18)9-17-6-3-11(15)4-7-17/h11H,2-10,15H2,1H3
InChIKeyRJDQZPVDHSRBEZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.90
Rot. Bonds3

About 1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine

1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine (PubChem CID 176515403) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine
PubChem CID176515403
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine
SMILESCCn1nc(CN2CCC(N)CC2)c2c1CCOC2
InChIInChI=1S/C14H24N4O/c1-2-18-14-5-8-19-10-12(14)13(16-18)9-17-6-3-11(15)4-7-17/h11H,2-10,15H2,1H3
InChIKeyRJDQZPVDHSRBEZ-UHFFFAOYSA-N
XLogP0.90
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine (CID 176515403) is 1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine is CCn1nc(CN2CCC(N)CC2)c2c1CCOC2.
What is the InChIKey of 1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is RJDQZPVDHSRBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-18-14-5-8-19-10-12(14)13(16-18)9-17-6-3-11(15)4-7-17/h11H,2-10,15H2,1H3.
What are the key properties of 1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine?
1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 176515403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).