4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline

C19H23N3 — CID 17035762

IUPAC4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline
SMILESc1ccc(-c2nc(N3CCCCC3)nc3c2CCCC3)cc1
InChIInChI=1S/C19H23N3/c1-3-9-15(10-4-1)18-16-11-5-6-12-17(16)20-19(21-18)22-13-7-2-8-14-22/h1,3-4,9-10H,2,5-8,11-14H2
InChIKeyZNVLYVWCBLVKAS-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.01
Rot. Bonds2

About 4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline

4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline (PubChem CID 17035762) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline
PubChem CID17035762
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline
SMILESc1ccc(-c2nc(N3CCCCC3)nc3c2CCCC3)cc1
InChIInChI=1S/C19H23N3/c1-3-9-15(10-4-1)18-16-11-5-6-12-17(16)20-19(21-18)22-13-7-2-8-14-22/h1,3-4,9-10H,2,5-8,11-14H2
InChIKeyZNVLYVWCBLVKAS-UHFFFAOYSA-N
XLogP4.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline (CID 17035762) is 4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline is c1ccc(-c2nc(N3CCCCC3)nc3c2CCCC3)cc1.
What is the InChIKey of 4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is ZNVLYVWCBLVKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-3-9-15(10-4-1)18-16-11-5-6-12-17(16)20-19(21-18)22-13-7-2-8-14-22/h1,3-4,9-10H,2,5-8,11-14H2.
What are the key properties of 4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline?
4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 293.41 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 17035762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).