10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene

C18H22N4O — CID 70067147

IUPAC10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
SMILESCCN1CCCC(COc2ccnc3c2ncc2cccn23)C1
InChIInChI=1S/C18H22N4O/c1-2-21-9-3-5-14(12-21)13-23-16-7-8-19-18-17(16)20-11-15-6-4-10-22(15)18/h4,6-8,10-11,14H,2-3,5,9,12-13H2,1H3
InChIKeyPSQZCQIHRSBBCT-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.99
Rot. Bonds4

About 10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene

10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene (PubChem CID 70067147) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene.

Molecular Properties

Compound Name10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
PubChem CID70067147
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
SMILESCCN1CCCC(COc2ccnc3c2ncc2cccn23)C1
InChIInChI=1S/C18H22N4O/c1-2-21-9-3-5-14(12-21)13-23-16-7-8-19-18-17(16)20-11-15-6-4-10-22(15)18/h4,6-8,10-11,14H,2-3,5,9,12-13H2,1H3
InChIKeyPSQZCQIHRSBBCT-UHFFFAOYSA-N
XLogP2.99
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene with MolForge

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Related Compounds

[3-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145785
3-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine
CID 117146774
3-[(1-ethylpiperidin-3-yl)methyl]-5-methoxyimidazo[1,5-a]pyridine
CID 117140525
2-[(1-ethylpiperidin-3-yl)methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117136928
[3-[(1-ethylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145787
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine
CID 111576817
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891510
(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891509
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine
CID 75358087
3-(1-ethylpiperidin-3-yl)imidazo[1,5-a]pyridin-6-ol
CID 117139032
5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074635

Frequently Asked Questions

What is the IUPAC name of 10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene?
The IUPAC name of 10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene (CID 70067147) is 10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene.
What is the SMILES notation for 10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene?
The canonical SMILES for 10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene is CCN1CCCC(COc2ccnc3c2ncc2cccn23)C1.
What is the InChIKey of 10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene?
The InChIKey is PSQZCQIHRSBBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-21-9-3-5-14(12-21)13-23-16-7-8-19-18-17(16)20-11-15-6-4-10-22(15)18/h4,6-8,10-11,14H,2-3,5,9,12-13H2,1H3.
What are the key properties of 10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene?
10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene has a molecular weight of 310.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1-ethylpiperidin-3-yl)methoxy]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene is sourced from PubChem (CID 70067147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).