4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline

C26H25N3 — CID 10177767

IUPAC4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
SMILESc1ccc(CC2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C26H25N3/c1-3-9-20(10-4-1)19-21-15-17-29(18-16-21)26-23-13-7-8-14-24(23)27-25(28-26)22-11-5-2-6-12-22/h1-14,21H,15-19H2
InChIKeyNZCQZTLAKVWSRN-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.76
Rot. Bonds4

About 4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline

4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline (PubChem CID 10177767) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
PubChem CID10177767
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
SMILESc1ccc(CC2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C26H25N3/c1-3-9-20(10-4-1)19-21-15-17-29(18-16-21)26-23-13-7-8-14-24(23)27-25(28-26)22-11-5-2-6-12-22/h1-14,21H,15-19H2
InChIKeyNZCQZTLAKVWSRN-UHFFFAOYSA-N
XLogP5.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline
CID 91964253
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
CID 1191881
4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid
CID 42670559
4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 24626620
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
4-piperidin-1-yl-2-pyridin-4-ylquinazoline
CID 820815
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937
(3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol
CID 146046335
4-[4-(bromomethylsulfonyl)piperazin-1-yl]-2-phenylquinazoline
CID 154752797
N-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine
CID 90869046
2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133355934

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline (CID 10177767) is 4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline is c1ccc(CC2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline?
The InChIKey is NZCQZTLAKVWSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-3-9-20(10-4-1)19-21-15-17-29(18-16-21)26-23-13-7-8-14-24(23)27-25(28-26)22-11-5-2-6-12-22/h1-14,21H,15-19H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline?
4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline has a molecular weight of 379.51 g/mol, XLogP of 5.76, 4 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)-2-phenylquinazoline is sourced from PubChem (CID 10177767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).