4-(4-benzylpiperidin-1-yl)quinazoline

C20H21N3 — CID 1413843

IUPAC4-(4-benzylpiperidin-1-yl)quinazoline
SMILESc1ccc(CC2CCN(c3ncnc4ccccc34)CC2)cc1
InChIInChI=1S/C20H21N3/c1-2-6-16(7-3-1)14-17-10-12-23(13-11-17)20-18-8-4-5-9-19(18)21-15-22-20/h1-9,15,17H,10-14H2
InChIKeyUNMIIUFHQREHIB-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.09
Rot. Bonds3

About 4-(4-benzylpiperidin-1-yl)quinazoline

4-(4-benzylpiperidin-1-yl)quinazoline (PubChem CID 1413843) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)quinazoline
PubChem CID1413843
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name4-(4-benzylpiperidin-1-yl)quinazoline
SMILESc1ccc(CC2CCN(c3ncnc4ccccc34)CC2)cc1
InChIInChI=1S/C20H21N3/c1-2-6-16(7-3-1)14-17-10-12-23(13-11-17)20-18-8-4-5-9-19(18)21-15-22-20/h1-9,15,17H,10-14H2
InChIKeyUNMIIUFHQREHIB-UHFFFAOYSA-N
XLogP4.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
CID 10177767
4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline
CID 114800924
4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
CID 19137622
4-(4-benzylpiperidin-1-yl)pyrimidin-5-amine
CID 79918295
N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine
CID 115307565
4-(azepan-1-yl)quinazoline
CID 5207391
4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline
CID 91964253
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537
N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 154883300
4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine
CID 19139509
4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
CID 7205389
8-(4-benzylpiperidin-1-yl)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921827

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)quinazoline?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)quinazoline (CID 1413843) is 4-(4-benzylpiperidin-1-yl)quinazoline.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)quinazoline?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)quinazoline is c1ccc(CC2CCN(c3ncnc4ccccc34)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)quinazoline?
The InChIKey is UNMIIUFHQREHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-2-6-16(7-3-1)14-17-10-12-23(13-11-17)20-18-8-4-5-9-19(18)21-15-22-20/h1-9,15,17H,10-14H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)quinazoline?
4-(4-benzylpiperidin-1-yl)quinazoline has a molecular weight of 303.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)quinazoline is sourced from PubChem (CID 1413843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).