N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine

C16H22N4 — CID 114789523

IUPACN-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine
SMILESCCNCC1CCN(c2ncc3ccccc3n2)CC1
InChIInChI=1S/C16H22N4/c1-2-17-11-13-7-9-20(10-8-13)16-18-12-14-5-3-4-6-15(14)19-16/h3-6,12-13,17H,2,7-11H2,1H3
InChIKeyDUEUAQZWVWGYSZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.46
Rot. Bonds4

About N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine

N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine (PubChem CID 114789523) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine
PubChem CID114789523
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine
SMILESCCNCC1CCN(c2ncc3ccccc3n2)CC1
InChIInChI=1S/C16H22N4/c1-2-17-11-13-7-9-20(10-8-13)16-18-12-14-5-3-4-6-15(14)19-16/h3-6,12-13,17H,2,7-11H2,1H3
InChIKeyDUEUAQZWVWGYSZ-UHFFFAOYSA-N
XLogP2.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 63206358
2-(1-quinazolin-2-ylpiperidin-4-yl)ethanamine
CID 114789468
N-[(4-quinazolin-2-ylmorpholin-3-yl)methyl]ethanamine
CID 114789779
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
CID 114788663
(1-quinazolin-2-ylazetidin-3-yl)methanamine
CID 114789950
N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine
CID 55111529
2-(3,5-dimethylpiperazin-1-yl)quinazoline
CID 22636321
1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine
CID 103204663
N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
CID 102799345
N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine
CID 62634247
N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62783429

Frequently Asked Questions

What is the IUPAC name of N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine (CID 114789523) is N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine is CCNCC1CCN(c2ncc3ccccc3n2)CC1.
What is the InChIKey of N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is DUEUAQZWVWGYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-17-11-13-7-9-20(10-8-13)16-18-12-14-5-3-4-6-15(14)19-16/h3-6,12-13,17H,2,7-11H2,1H3.
What are the key properties of N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine?
N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 114789523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).