4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline

C22H25N3 — CID 10404467

IUPAC4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline
SMILESc1ccc(CN2CCC(CCc3ncnc4ccccc34)CC2)cc1
InChIInChI=1S/C22H25N3/c1-2-6-19(7-3-1)16-25-14-12-18(13-15-25)10-11-22-20-8-4-5-9-21(20)23-17-24-22/h1-9,17-18H,10-16H2
InChIKeyZJCILDCILOKWCX-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.47
Rot. Bonds5

About 4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline

4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline (PubChem CID 10404467) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline.

Molecular Properties

Compound Name4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline
PubChem CID10404467
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline
SMILESc1ccc(CN2CCC(CCc3ncnc4ccccc34)CC2)cc1
InChIInChI=1S/C22H25N3/c1-2-6-19(7-3-1)16-25-14-12-18(13-15-25)10-11-22-20-8-4-5-9-21(20)23-17-24-22/h1-9,17-18H,10-16H2
InChIKeyZJCILDCILOKWCX-UHFFFAOYSA-N
XLogP4.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline?
The IUPAC name of 4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline (CID 10404467) is 4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline.
What is the SMILES notation for 4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline?
The canonical SMILES for 4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline is c1ccc(CN2CCC(CCc3ncnc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline?
The InChIKey is ZJCILDCILOKWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-2-6-19(7-3-1)16-25-14-12-18(13-15-25)10-11-22-20-8-4-5-9-21(20)23-17-24-22/h1-9,17-18H,10-16H2.
What are the key properties of 4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline?
4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline has a molecular weight of 331.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-benzylpiperidin-4-yl)ethyl]quinazoline is sourced from PubChem (CID 10404467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).