1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine

C25H33NO2 — CID 19261385

IUPAC1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine
SMILESCOCOC1(CCCN2CCCCC2)c2ccccc2CCc2ccccc21
InChIInChI=1S/C25H33NO2/c1-27-20-28-25(16-9-19-26-17-7-2-8-18-26)23-12-5-3-10-21(23)14-15-22-11-4-6-13-24(22)25/h3-6,10-13H,2,7-9,14-20H2,1H3
InChIKeyVRISZWPFSHJNKE-UHFFFAOYSA-N
MW379.54 g/mol
LogP4.92
Rot. Bonds7

About 1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine

1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine (PubChem CID 19261385) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is 1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine
PubChem CID19261385
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine
SMILESCOCOC1(CCCN2CCCCC2)c2ccccc2CCc2ccccc21
InChIInChI=1S/C25H33NO2/c1-27-20-28-25(16-9-19-26-17-7-2-8-18-26)23-12-5-3-10-21(23)14-15-22-11-4-6-13-24(22)25/h3-6,10-13H,2,7-9,14-20H2,1H3
InChIKeyVRISZWPFSHJNKE-UHFFFAOYSA-N
XLogP4.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.54
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
CID 29730
oxalic acid;2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile
CID 23723097
2-ethyl-5-[2-(2-piperidin-1-ylethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]-1,3,4-oxadiazole
CID 21448665
11-(5-pyrrolidin-1-ylpentyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 10131774
1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
CID 3038686
N-(2-methoxyethyl)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine
CID 63153557
11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine
CID 89190385
4-ethoxy-11-(3-piperidin-1-ylpropyl)-6H-benzo[c][1]benzoxepine-11-carbonitrile
CID 20535750
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]
CID 121359802
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine?
The IUPAC name of 1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine (CID 19261385) is 1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine.
What is the SMILES notation for 1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine?
The canonical SMILES for 1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine is COCOC1(CCCN2CCCCC2)c2ccccc2CCc2ccccc21.
What is the InChIKey of 1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine?
The InChIKey is VRISZWPFSHJNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-27-20-28-25(16-9-19-26-17-7-2-8-18-26)23-12-5-3-10-21(23)14-15-22-11-4-6-13-24(22)25/h3-6,10-13H,2,7-9,14-20H2,1H3.
What are the key properties of 1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine?
1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine has a molecular weight of 379.54 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine is sourced from PubChem (CID 19261385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).