1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine

C26H35NO2 — CID 143582631

IUPAC1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine
SMILESCOc1cc2c(cc1OC)CC(CC1CCN(Cc3ccccc3)CC1)C(C)C2
InChIInChI=1S/C26H35NO2/c1-19-13-23-16-25(28-2)26(29-3)17-24(23)15-22(19)14-20-9-11-27(12-10-20)18-21-7-5-4-6-8-21/h4-8,16-17,19-20,22H,9-15,18H2,1-3H3
InChIKeyXBHMOQCFNIYCFK-UHFFFAOYSA-N
MW393.57 g/mol
LogP5.36
Rot. Bonds6

About 1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine

1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine (PubChem CID 143582631) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is 1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine
PubChem CID143582631
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC Name1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine
SMILESCOc1cc2c(cc1OC)CC(CC1CCN(Cc3ccccc3)CC1)C(C)C2
InChIInChI=1S/C26H35NO2/c1-19-13-23-16-25(28-2)26(29-3)17-24(23)15-22(19)14-20-9-11-27(12-10-20)18-21-7-5-4-6-8-21/h4-8,16-17,19-20,22H,9-15,18H2,1-3H3
InChIKeyXBHMOQCFNIYCFK-UHFFFAOYSA-N
XLogP5.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine
CID 143582649
2-[[1-((1,2,3,4,5,6-13C6)cyclohexatrienylmethyl)piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 169439340
(2S)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochloride
CID 70695523
(2R)-2-[(1-benzylpiperidin-4-yl)methyl]-2-deuterio-5,6-dimethoxy-3H-inden-1-one
CID 140604647
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;bromomethylbenzene
CID 118256682
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;methanol;hydrochloride
CID 89401154
1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride
CID 14553348
2-[(1-benzylpiperidin-4-yl)methyl]-5-ethoxy-6-methoxy-2,3-dihydroinden-1-one;hydrochloride
CID 68955175
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;2,3-dihydroxybutanedioic acid
CID 56947395
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
2-[(1-benzylpiperidin-4-yl)methyl]-6-methoxy-3-oxo-1,2-dihydroindene-5-carbaldehyde
CID 58830623
2-[(1-benzylpiperidin-4-yl)methyl]-4,7-dideuterio-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 46240503

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine?
The IUPAC name of 1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine (CID 143582631) is 1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine.
What is the SMILES notation for 1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine?
The canonical SMILES for 1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine is COc1cc2c(cc1OC)CC(CC1CCN(Cc3ccccc3)CC1)C(C)C2.
What is the InChIKey of 1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine?
The InChIKey is XBHMOQCFNIYCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2/c1-19-13-23-16-25(28-2)26(29-3)17-24(23)15-22(19)14-20-9-11-27(12-10-20)18-21-7-5-4-6-8-21/h4-8,16-17,19-20,22H,9-15,18H2,1-3H3.
What are the key properties of 1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine?
1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine has a molecular weight of 393.57 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine is sourced from PubChem (CID 143582631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).