2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid

C17H23NO2 — CID 106745469

IUPAC2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid
SMILESCc1ccc2c(c1)C(N1CCC(C(=O)O)CC1C)CC2
InChIInChI=1S/C17H23NO2/c1-11-3-4-13-5-6-16(15(13)9-11)18-8-7-14(17(19)20)10-12(18)2/h3-4,9,12,14,16H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyYEPVSXBHIKPQJY-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.17
Rot. Bonds2

About 2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid

2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid (PubChem CID 106745469) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid
PubChem CID106745469
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid
SMILESCc1ccc2c(c1)C(N1CCC(C(=O)O)CC1C)CC2
InChIInChI=1S/C17H23NO2/c1-11-3-4-13-5-6-16(15(13)9-11)18-8-7-14(17(19)20)10-12(18)2/h3-4,9,12,14,16H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyYEPVSXBHIKPQJY-UHFFFAOYSA-N
XLogP3.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
CID 79368867
(3S)-3-methyl-4-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylic acid
CID 68742148
1-[(2-chloro-4-methylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106865365
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742383
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(6-methyl-2,3-dihydro-1H-inden-1-yl)-2,4-dioxo-1,3-diazinane-5-carboxylic acid
CID 131709478
2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744234
2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 81319484
2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976101
2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid
CID 106745187
[4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone
CID 123882865
1-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
CID 59396303
(1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline
CID 102162097

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid (CID 106745469) is 2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid is Cc1ccc2c(c1)C(N1CCC(C(=O)O)CC1C)CC2.
What is the InChIKey of 2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid?
The InChIKey is YEPVSXBHIKPQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11-3-4-13-5-6-16(15(13)9-11)18-8-7-14(17(19)20)10-12(18)2/h3-4,9,12,14,16H,5-8,10H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid?
2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106745469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).