1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol

C14H18N4O — CID 114677655

IUPAC1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol
SMILESCC1CN(c2ncnc3ccc(N)cc23)CCC1O
InChIInChI=1S/C14H18N4O/c1-9-7-18(5-4-13(9)19)14-11-6-10(15)2-3-12(11)16-8-17-14/h2-3,6,8-9,13,19H,4-5,7,15H2,1H3
InChIKeyCQSYXOFLBKJXAG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.42
Rot. Bonds1

About 1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol

1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol (PubChem CID 114677655) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol
PubChem CID114677655
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol
SMILESCC1CN(c2ncnc3ccc(N)cc23)CCC1O
InChIInChI=1S/C14H18N4O/c1-9-7-18(5-4-13(9)19)14-11-6-10(15)2-3-12(11)16-8-17-14/h2-3,6,8-9,13,19H,4-5,7,15H2,1H3
InChIKeyCQSYXOFLBKJXAG-UHFFFAOYSA-N
XLogP1.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethylpiperidin-1-yl)quinazolin-6-amine
CID 64589288
4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid
CID 114678889
1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114683932
1-(6-amino-2-methylquinolin-4-yl)-3-methylpiperidin-4-ol
CID 114677705
(4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 138511172
4-(2,2,6-trimethylmorpholin-4-yl)quinazolin-6-amine
CID 64590100
4-(2-methylazepan-1-yl)quinazolin-6-amine
CID 64589320
4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine
CID 65283622
1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol
CID 107403605
1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114683982
(3S,4R)-1-(5-amino-2-pyridinyl)-3-methylpiperidin-4-ol
CID 129445711
1-(6-aminoquinazolin-4-yl)-6-methylpiperidine-3-carboxamide
CID 64590092

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol (CID 114677655) is 1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol is CC1CN(c2ncnc3ccc(N)cc23)CCC1O.
What is the InChIKey of 1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol?
The InChIKey is CQSYXOFLBKJXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-7-18(5-4-13(9)19)14-11-6-10(15)2-3-12(11)16-8-17-14/h2-3,6,8-9,13,19H,4-5,7,15H2,1H3.
What are the key properties of 1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol?
1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol has a molecular weight of 258.32 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114677655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).