N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine

C16H22N4 — CID 62593559

IUPACN-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
SMILESCCNCC1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C16H22N4/c1-2-17-10-13-6-5-9-20(11-13)16-14-7-3-4-8-15(14)18-12-19-16/h3-4,7-8,12-13,17H,2,5-6,9-11H2,1H3
InChIKeyGZUQIIGKSWPKTL-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.46
Rot. Bonds4

About N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine

N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine (PubChem CID 62593559) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
PubChem CID62593559
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
SMILESCCNCC1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C16H22N4/c1-2-17-10-13-6-5-9-20(11-13)16-14-7-3-4-8-15(14)18-12-19-16/h3-4,7-8,12-13,17H,2,5-6,9-11H2,1H3
InChIKeyGZUQIIGKSWPKTL-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

4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline
CID 63389905
N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 142582663
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
CID 133397903
N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide
CID 168791226
N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 49431629
N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine
CID 63854555
N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
CID 36834296
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089
(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 94184844
N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide
CID 175650317

Frequently Asked Questions

What is the IUPAC name of N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine (CID 62593559) is N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine is CCNCC1CCCN(c2ncnc3ccccc23)C1.
What is the InChIKey of N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is GZUQIIGKSWPKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-17-10-13-6-5-9-20(11-13)16-14-7-3-4-8-15(14)18-12-19-16/h3-4,7-8,12-13,17H,2,5-6,9-11H2,1H3.
What are the key properties of N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine?
N-[(1-quinazolin-4-ylpiperidin-3-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-4-ylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 62593559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).