1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine

C29H35NO — CID 90729722

IUPAC1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine
SMILESCCCC1CCN(C2Cc3ccccc3C2OC2=c3ccccc3=CCCC=C2)CC1
InChIInChI=1S/C29H35NO/c1-2-10-22-17-19-30(20-18-22)27-21-24-13-7-9-15-26(24)29(27)31-28-16-5-3-4-11-23-12-6-8-14-25(23)28/h5-9,11-16,22,27,29H,2-4,10,17-21H2,1H3
InChIKeyGIWQLWRFBSEQEQ-UHFFFAOYSA-N
MW413.61 g/mol
LogP5.12
Rot. Bonds5

About 1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine

1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine (PubChem CID 90729722) has the molecular formula C29H35NO and a molecular weight of 413.61 g/mol. Its IUPAC name is 1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine.

Molecular Properties

Compound Name1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine
PubChem CID90729722
Molecular FormulaC29H35NO
Molecular Weight413.61 g/mol
Exact Mass413.27
IUPAC Name1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine
SMILESCCCC1CCN(C2Cc3ccccc3C2OC2=c3ccccc3=CCCC=C2)CC1
InChIInChI=1S/C29H35NO/c1-2-10-22-17-19-30(20-18-22)27-21-24-13-7-9-15-26(24)29(27)31-28-16-5-3-4-11-23-12-6-8-14-25(23)28/h5-9,11-16,22,27,29H,2-4,10,17-21H2,1H3
InChIKeyGIWQLWRFBSEQEQ-UHFFFAOYSA-N
XLogP5.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine with MolForge

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Related Compounds

2-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62200551
[1-[(1R,2R)-1-(2-tert-butyl-4-ethylphenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine
CID 58393572
2-(4-propylpiperidin-1-yl)cycloheptan-1-ol
CID 62205599
4-[[(1R,2R)-2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chlorobenzoic acid
CID 123759305
N-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine
CID 126488738
4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
CID 23381499
[1-[(1R,2R)-1-(1H-indol-4-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine
CID 58393685
2-(2-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 83053277
1-fluoropropane;3-methyl-1-[(1S)-1-(3-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidine;propan-2-one
CID 143950706
N-ethyl-2-(2-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 83053543
2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139866098
1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine
CID 58394158

Frequently Asked Questions

What is the IUPAC name of 1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine?
The IUPAC name of 1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine (CID 90729722) is 1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine.
What is the SMILES notation for 1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine?
The canonical SMILES for 1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine is CCCC1CCN(C2Cc3ccccc3C2OC2=c3ccccc3=CCCC=C2)CC1.
What is the InChIKey of 1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine?
The InChIKey is GIWQLWRFBSEQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO/c1-2-10-22-17-19-30(20-18-22)27-21-24-13-7-9-15-26(24)29(27)31-28-16-5-3-4-11-23-12-6-8-14-25(23)28/h5-9,11-16,22,27,29H,2-4,10,17-21H2,1H3.
What are the key properties of 1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine?
1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine has a molecular weight of 413.61 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(8,9-dihydrobenzo[8]annulen-5-yloxy)-2,3-dihydro-1H-inden-2-yl]-4-propylpiperidine is sourced from PubChem (CID 90729722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).