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

C12H20N4O — CID 105498003

IUPAC(1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine
SMILESNCc1nn(C2CCNCC2)c2c1COCC2
InChIInChI=1S/C12H20N4O/c13-7-11-10-8-17-6-3-12(10)16(15-11)9-1-4-14-5-2-9/h9,14H,1-8,13H2
InChIKeyROWVNDTWNANZSE-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.34
Rot. Bonds2

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

(1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine (PubChem CID 105498003) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine
PubChem CID105498003
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine
SMILESNCc1nn(C2CCNCC2)c2c1COCC2
InChIInChI=1S/C12H20N4O/c13-7-11-10-8-17-6-3-12(10)16(15-11)9-1-4-14-5-2-9/h9,14H,1-8,13H2
InChIKeyROWVNDTWNANZSE-UHFFFAOYSA-N
XLogP0.34
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanamine
CID 105498001
(2-piperidin-4-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl)methanamine
CID 105498018
[1-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine
CID 105496814
[1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
CID 105498006
(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine
CID 105449261
N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 86264431
1-(oxan-4-yl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-amine
CID 105480660
1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105493367
3-cyclohexyl-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587575
2-cyclopropyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 105438148
3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110459126
1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine
CID 176515403

Frequently Asked Questions

What is the IUPAC name of (1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine?
The IUPAC name of (1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine (CID 105498003) is (1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine.
What is the SMILES notation for (1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine?
The canonical SMILES for (1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine is NCc1nn(C2CCNCC2)c2c1COCC2.
What is the InChIKey of (1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine?
The InChIKey is ROWVNDTWNANZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-7-11-10-8-17-6-3-12(10)16(15-11)9-1-4-14-5-2-9/h9,14H,1-8,13H2.
What are the key properties of (1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine?
(1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine has a molecular weight of 236.32 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine is sourced from PubChem (CID 105498003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).