ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride

C19H28ClNO3 — CID 159114747

IUPACethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCCN(CC2CCc3ccc(OC)cc32)C1.Cl
InChIInChI=1S/C19H27NO3.ClH/c1-3-23-19(21)16-5-4-10-20(13-16)12-15-7-6-14-8-9-17(22-2)11-18(14)15;/h8-9,11,15-16H,3-7,10,12-13H2,1-2H3;1H
InChIKeyMLQSRFOGBOEINQ-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.42
Rot. Bonds5

About ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride

ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride (PubChem CID 159114747) has the molecular formula C19H28ClNO3 and a molecular weight of 353.89 g/mol. Its IUPAC name is ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride
PubChem CID159114747
Molecular FormulaC19H28ClNO3
Molecular Weight353.89 g/mol
Exact Mass353.18
IUPAC Nameethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCCN(CC2CCc3ccc(OC)cc32)C1.Cl
InChIInChI=1S/C19H27NO3.ClH/c1-3-23-19(21)16-5-4-10-20(13-16)12-15-7-6-14-8-9-17(22-2)11-18(14)15;/h8-9,11,15-16H,3-7,10,12-13H2,1-2H3;1H
InChIKeyMLQSRFOGBOEINQ-UHFFFAOYSA-N
XLogP3.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride with MolForge

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Related Compounds

ethyl 4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
CID 70358137
ethyl (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylate
CID 1377071
1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 23044238
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675
4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 54688846
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidine-3-carboxylate
CID 79214896
ethyl (3R)-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]piperidine-3-carboxylate
CID 26201452
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823
ethyl (3S)-1-[[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]piperidine-3-carboxylate
CID 9193739
ethyl 1-(2-cyano-5-methoxyphenyl)piperidine-3-carboxylate
CID 81296564
ethyl (3R)-1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533050

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride (CID 159114747) is ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride is CCOC(=O)C1CCCN(CC2CCc3ccc(OC)cc32)C1.Cl.
What is the InChIKey of ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride?
The InChIKey is MLQSRFOGBOEINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3.ClH/c1-3-23-19(21)16-5-4-10-20(13-16)12-15-7-6-14-8-9-17(22-2)11-18(14)15;/h8-9,11,15-16H,3-7,10,12-13H2,1-2H3;1H.
What are the key properties of ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride?
ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 159114747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).