1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol

C15H20N4O — CID 80702487

IUPAC1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C15H20N4O/c1-15(20)6-8-19(9-7-15)10-13-17-12-5-3-2-4-11(12)14(16)18-13/h2-5,20H,6-10H2,1H3,(H2,16,17,18)
InChIKeyNFIURHNWSLHPDF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.56
Rot. Bonds2

About 1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol

1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol (PubChem CID 80702487) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol
PubChem CID80702487
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C15H20N4O/c1-15(20)6-8-19(9-7-15)10-13-17-12-5-3-2-4-11(12)14(16)18-13/h2-5,20H,6-10H2,1H3,(H2,16,17,18)
InChIKeyNFIURHNWSLHPDF-UHFFFAOYSA-N
XLogP1.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine
CID 115304884
cis-(1R,3S)-3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065822
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 34700412
2-[[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 30648593
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid
CID 167806447
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 37132816
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 37131062
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 133489031
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 37132776
2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 71850438

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol (CID 80702487) is 1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol is CC1(O)CCN(Cc2nc(N)c3ccccc3n2)CC1.
What is the InChIKey of 1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol?
The InChIKey is NFIURHNWSLHPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(20)6-8-19(9-7-15)10-13-17-12-5-3-2-4-11(12)14(16)18-13/h2-5,20H,6-10H2,1H3,(H2,16,17,18).
What are the key properties of 1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol?
1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol has a molecular weight of 272.35 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 80702487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).