1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride

C24H30ClNO2 — CID 14553348

IUPAC1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride
SMILESCOc1cc2c(cc1OC)CC(CC1CCN(Cc3ccccc3)CC1)=C2.Cl
InChIInChI=1S/C24H29NO2.ClH/c1-26-23-15-21-13-20(14-22(21)16-24(23)27-2)12-18-8-10-25(11-9-18)17-19-6-4-3-5-7-19;/h3-7,13,15-16,18H,8-12,14,17H2,1-2H3;1H
InChIKeyWWNSPXCYERRSQQ-UHFFFAOYSA-N
MW399.96 g/mol
LogP5.37
Rot. Bonds6

About 1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride

1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride (PubChem CID 14553348) has the molecular formula C24H30ClNO2 and a molecular weight of 399.96 g/mol. Its IUPAC name is 1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride
PubChem CID14553348
Molecular FormulaC24H30ClNO2
Molecular Weight399.96 g/mol
Exact Mass399.20
IUPAC Name1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride
SMILESCOc1cc2c(cc1OC)CC(CC1CCN(Cc3ccccc3)CC1)=C2.Cl
InChIInChI=1S/C24H29NO2.ClH/c1-26-23-15-21-13-20(14-22(21)16-24(23)27-2)12-18-8-10-25(11-9-18)17-19-6-4-3-5-7-19;/h3-7,13,15-16,18H,8-12,14,17H2,1-2H3;1H
InChIKeyWWNSPXCYERRSQQ-UHFFFAOYSA-N
XLogP5.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.96
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;2-[(1,1-dibenzylpiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 161128344
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 143582631
(2S)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochloride
CID 70695523
2-[[1-((1,2,3,4,5,6-13C6)cyclohexatrienylmethyl)piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 169439340
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;methanol;hydrochloride
CID 89401154
2-[(1-benzylpiperidin-4-yl)methyl]-5-ethoxy-6-methoxy-2,3-dihydroinden-1-one;hydrochloride
CID 68955175
(2R)-2-[(1-benzylpiperidin-4-yl)methyl]-2-deuterio-5,6-dimethoxy-3H-inden-1-one
CID 140604647
(2Z)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-one;hydrochloride
CID 10179996
5-[(4-benzylpiperidin-1-yl)methyl]-2-methoxyaniline
CID 39448734
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine
CID 143582649

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride?
The IUPAC name of 1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride (CID 14553348) is 1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride?
The canonical SMILES for 1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride is COc1cc2c(cc1OC)CC(CC1CCN(Cc3ccccc3)CC1)=C2.Cl.
What is the InChIKey of 1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride?
The InChIKey is WWNSPXCYERRSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2.ClH/c1-26-23-15-21-13-20(14-22(21)16-24(23)27-2)12-18-8-10-25(11-9-18)17-19-6-4-3-5-7-19;/h3-7,13,15-16,18H,8-12,14,17H2,1-2H3;1H.
What are the key properties of 1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride?
1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride has a molecular weight of 399.96 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 14553348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).