4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline

C13H19N3 — CID 83849258

IUPAC4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline
SMILESc1nc2c(c(C3CCNCC3)n1)CCCC2
InChIInChI=1S/C13H19N3/c1-2-4-12-11(3-1)13(16-9-15-12)10-5-7-14-8-6-10/h9-10,14H,1-8H2
InChIKeyHWFKRBDHVPYCIQ-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.82
Rot. Bonds1

About 4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline

4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline (PubChem CID 83849258) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline
PubChem CID83849258
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline
SMILESc1nc2c(c(C3CCNCC3)n1)CCCC2
InChIInChI=1S/C13H19N3/c1-2-4-12-11(3-1)13(16-9-15-12)10-5-7-14-8-6-10/h9-10,14H,1-8H2
InChIKeyHWFKRBDHVPYCIQ-UHFFFAOYSA-N
XLogP1.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 121229610
4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106779446
4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 55121513
N-(piperidin-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79719414
3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole
CID 83849589
N-(piperidin-4-ylmethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79719326
4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 154583498
5,6,7,8-tetrahydroquinazolin-4-amine
CID 45079028
4-cyclobutyl-6-piperidin-4-ylpyrimidine
CID 83849257
3-piperidin-4-yl-6,7-dihydro-5H-cyclopenta[b]pyrazine
CID 83832289
4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350898
N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114695362

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline (CID 83849258) is 4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline is c1nc2c(c(C3CCNCC3)n1)CCCC2.
What is the InChIKey of 4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is HWFKRBDHVPYCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-4-12-11(3-1)13(16-9-15-12)10-5-7-14-8-6-10/h9-10,14H,1-8H2.
What are the key properties of 4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline?
4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 217.32 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 83849258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).