1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile

C20H17FN4 — CID 155980890

IUPAC1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C20H17FN4/c21-16-6-7-18-17(12-16)19(24-14-23-18)25-10-8-20(13-22,9-11-25)15-4-2-1-3-5-15/h1-7,12,14H,8-11H2
InChIKeySZPCOJXUFIFNJX-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.83
Rot. Bonds2

About 1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile

1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile (PubChem CID 155980890) has the molecular formula C20H17FN4 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile
PubChem CID155980890
Molecular FormulaC20H17FN4
Molecular Weight332.38 g/mol
Exact Mass332.14
IUPAC Name1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C20H17FN4/c21-16-6-7-18-17(12-16)19(24-14-23-18)25-10-8-20(13-22,9-11-25)15-4-2-1-3-5-15/h1-7,12,14H,8-11H2
InChIKeySZPCOJXUFIFNJX-UHFFFAOYSA-N
XLogP3.83
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile (CID 155980890) is 1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(c2ncnc3ccc(F)cc23)CC1.
What is the InChIKey of 1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile?
The InChIKey is SZPCOJXUFIFNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4/c21-16-6-7-18-17(12-16)19(24-14-23-18)25-10-8-20(13-22,9-11-25)15-4-2-1-3-5-15/h1-7,12,14H,8-11H2.
What are the key properties of 1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile?
1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile has a molecular weight of 332.38 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 155980890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).