7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H27N5 — CID 136837454

IUPAC7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1c(C2CCNCC2)nn2c1NCCC2C1CCCNC1
InChIInChI=1S/C16H27N5/c1-2-13(11-18-6-1)15-5-9-19-16-10-14(20-21(15)16)12-3-7-17-8-4-12/h10,12-13,15,17-19H,1-9,11H2
InChIKeyIEGAJFJUDRVWPX-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.71
Rot. Bonds2

About 7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136837454) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136837454
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1c(C2CCNCC2)nn2c1NCCC2C1CCCNC1
InChIInChI=1S/C16H27N5/c1-2-13(11-18-6-1)15-5-9-19-16-10-14(20-21(15)16)12-3-7-17-8-4-12/h10,12-13,15,17-19H,1-9,11H2
InChIKeyIEGAJFJUDRVWPX-UHFFFAOYSA-N
XLogP1.71
TPSA53.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841127
7-piperidin-3-yl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838503
2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841078
2-(oxan-4-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841290
7-piperidin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 136840288
7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837460
2-(2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
CID 136837431
7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841107
4-tert-butyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 136839393
2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841112
(2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 136841109
(2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 136841253

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136837454) is 7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is c1c(C2CCNCC2)nn2c1NCCC2C1CCCNC1.
What is the InChIKey of 7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is IEGAJFJUDRVWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-2-13(11-18-6-1)15-5-9-19-16-10-14(20-21(15)16)12-3-7-17-8-4-12/h10,12-13,15,17-19H,1-9,11H2.
What are the key properties of 7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 289.43 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136837454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).