(3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol

C19H20N4O — CID 146046335

IUPAC(3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol
SMILESN[C@H]1C[C@@H](O)CN(c2nc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C19H20N4O/c20-14-10-15(24)12-23(11-14)19-16-8-4-5-9-17(16)21-18(22-19)13-6-2-1-3-7-13/h1-9,14-15,24H,10-12,20H2/t14-,15+/m0/s1
InChIKeyLHDZDNDKXBSNNS-LSDHHAIUSA-N
MW320.40 g/mol
LogP2.20
Rot. Bonds2

About (3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol

(3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol (PubChem CID 146046335) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol
PubChem CID146046335
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol
SMILESN[C@H]1C[C@@H](O)CN(c2nc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C19H20N4O/c20-14-10-15(24)12-23(11-14)19-16-8-4-5-9-17(16)21-18(22-19)13-6-2-1-3-7-13/h1-9,14-15,24H,10-12,20H2/t14-,15+/m0/s1
InChIKeyLHDZDNDKXBSNNS-LSDHHAIUSA-N
XLogP2.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
CID 11415528
4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
CID 10177767
2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133355934
(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide
CID 94434184
[5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 166238124
4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
CID 1191881
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937
(2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
CID 1181449
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-pyridin-3-ylquinazoline
CID 133322897
(3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol
CID 166296812
(4-chlorophenyl)-[4-[(3R,4R)-4-hydroxy-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 58451026

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol?
The IUPAC name of (3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol (CID 146046335) is (3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol.
What is the SMILES notation for (3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol?
The canonical SMILES for (3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol is N[C@H]1C[C@@H](O)CN(c2nc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of (3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol?
The InChIKey is LHDZDNDKXBSNNS-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H20N4O/c20-14-10-15(24)12-23(11-14)19-16-8-4-5-9-17(16)21-18(22-19)13-6-2-1-3-7-13/h1-9,14-15,24H,10-12,20H2/t14-,15+/m0/s1.
What are the key properties of (3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol?
(3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol has a molecular weight of 320.40 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol is sourced from PubChem (CID 146046335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).