4-piperidin-1-ylquinazoline;hydrochloride

C13H16ClN3 — CID 2789308

IUPAC4-piperidin-1-ylquinazoline;hydrochloride
SMILESCl.c1ccc2c(N3CCCCC3)ncnc2c1
InChIInChI=1S/C13H15N3.ClH/c1-4-8-16(9-5-1)13-11-6-2-3-7-12(11)14-10-15-13;/h2-3,6-7,10H,1,4-5,8-9H2;1H
InChIKeyHIEQPPOAVWXNRP-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.04
Rot. Bonds1

About 4-piperidin-1-ylquinazoline;hydrochloride

4-piperidin-1-ylquinazoline;hydrochloride (PubChem CID 2789308) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 4-piperidin-1-ylquinazoline;hydrochloride.

Molecular Properties

Compound Name4-piperidin-1-ylquinazoline;hydrochloride
PubChem CID2789308
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name4-piperidin-1-ylquinazoline;hydrochloride
SMILESCl.c1ccc2c(N3CCCCC3)ncnc2c1
InChIInChI=1S/C13H15N3.ClH/c1-4-8-16(9-5-1)13-11-6-2-3-7-12(11)14-10-15-13;/h2-3,6-7,10H,1,4-5,8-9H2;1H
InChIKeyHIEQPPOAVWXNRP-UHFFFAOYSA-N
XLogP3.04
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylquinazoline;hydrochloride?
The IUPAC name of 4-piperidin-1-ylquinazoline;hydrochloride (CID 2789308) is 4-piperidin-1-ylquinazoline;hydrochloride.
What is the SMILES notation for 4-piperidin-1-ylquinazoline;hydrochloride?
The canonical SMILES for 4-piperidin-1-ylquinazoline;hydrochloride is Cl.c1ccc2c(N3CCCCC3)ncnc2c1.
What is the InChIKey of 4-piperidin-1-ylquinazoline;hydrochloride?
The InChIKey is HIEQPPOAVWXNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3.ClH/c1-4-8-16(9-5-1)13-11-6-2-3-7-12(11)14-10-15-13;/h2-3,6-7,10H,1,4-5,8-9H2;1H.
What are the key properties of 4-piperidin-1-ylquinazoline;hydrochloride?
4-piperidin-1-ylquinazoline;hydrochloride has a molecular weight of 249.75 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylquinazoline;hydrochloride is sourced from PubChem (CID 2789308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).