2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol

C16H22N4O — CID 62358015

IUPAC2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol
SMILESNc1nc(CN2CCCC(CCO)C2)nc2ccccc12
InChIInChI=1S/C16H22N4O/c17-16-13-5-1-2-6-14(13)18-15(19-16)11-20-8-3-4-12(10-20)7-9-21/h1-2,5-6,12,21H,3-4,7-11H2,(H2,17,18,19)
InChIKeyUBQNXLBZNJIBJK-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.81
Rot. Bonds4

About 2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol

2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 62358015) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol
PubChem CID62358015
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol
SMILESNc1nc(CN2CCCC(CCO)C2)nc2ccccc12
InChIInChI=1S/C16H22N4O/c17-16-13-5-1-2-6-14(13)18-15(19-16)11-20-8-3-4-12(10-20)7-9-21/h1-2,5-6,12,21H,3-4,7-11H2,(H2,17,18,19)
InChIKeyUBQNXLBZNJIBJK-UHFFFAOYSA-N
XLogP1.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 113241423
1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol
CID 80702487
2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine
CID 99780455
2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]quinazolin-4-amine
CID 61235559
2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107167021
2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine
CID 115304884
(2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 95612257
1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 56802986
2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol
CID 107228565
2-[[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 30648593
1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol
CID 62208261
2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine
CID 63250159

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol (CID 62358015) is 2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol is Nc1nc(CN2CCCC(CCO)C2)nc2ccccc12.
What is the InChIKey of 2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is UBQNXLBZNJIBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-16-13-5-1-2-6-14(13)18-15(19-16)11-20-8-3-4-12(10-20)7-9-21/h1-2,5-6,12,21H,3-4,7-11H2,(H2,17,18,19).
What are the key properties of 2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol?
2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 286.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 62358015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).