4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride

C14H18ClN3 — CID 11948888

IUPAC4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride
SMILESCC1CCCCN1c1ncnc2ccccc12.Cl
InChIInChI=1S/C14H17N3.ClH/c1-11-6-4-5-9-17(11)14-12-7-2-3-8-13(12)15-10-16-14;/h2-3,7-8,10-11H,4-6,9H2,1H3;1H
InChIKeyLTQCFRPKEDAOIK-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.43
Rot. Bonds1

About 4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride

4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride (PubChem CID 11948888) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride
PubChem CID11948888
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride
SMILESCC1CCCCN1c1ncnc2ccccc12.Cl
InChIInChI=1S/C14H17N3.ClH/c1-11-6-4-5-9-17(11)14-12-7-2-3-8-13(12)15-10-16-14;/h2-3,7-8,10-11H,4-6,9H2,1H3;1H
InChIKeyLTQCFRPKEDAOIK-UHFFFAOYSA-N
XLogP3.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride?
The IUPAC name of 4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride (CID 11948888) is 4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride is CC1CCCCN1c1ncnc2ccccc12.Cl.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride?
The InChIKey is LTQCFRPKEDAOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.ClH/c1-11-6-4-5-9-17(11)14-12-7-2-3-8-13(12)15-10-16-14;/h2-3,7-8,10-11H,4-6,9H2,1H3;1H.
What are the key properties of 4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride?
4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)quinazoline;hydrochloride is sourced from PubChem (CID 11948888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).