methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate

C17H23NO2 — CID 78966837

IUPACmethyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C17H23NO2/c1-20-17(19)16-6-3-9-18(12-16)11-13-7-8-14-4-2-5-15(14)10-13/h7-8,10,16H,2-6,9,11-12H2,1H3
InChIKeyOGTGNPYTIQPQFD-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.56
Rot. Bonds3

About methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate

methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate (PubChem CID 78966837) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate
PubChem CID78966837
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namemethyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C17H23NO2/c1-20-17(19)16-6-3-9-18(12-16)11-13-7-8-14-4-2-5-15(14)10-13/h7-8,10,16H,2-6,9,11-12H2,1H3
InChIKeyOGTGNPYTIQPQFD-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate
CID 115533762
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733683
methyl 1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 78920357
methyl 1-[(3-bromo-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 79673422
methyl (3S)-1-[(3-bromo-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 79673936
methyl 1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112631199
methyl 1-[(4-ethylphenyl)methyl]pyrrolidine-3-carboxylate
CID 78992354
methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 113345079
methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 104956290
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-3-carboxylate
CID 112730681

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate (CID 78966837) is methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate is COC(=O)C1CCCN(Cc2ccc3c(c2)CCC3)C1.
What is the InChIKey of methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate?
The InChIKey is OGTGNPYTIQPQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-20-17(19)16-6-3-9-18(12-16)11-13-7-8-14-4-2-5-15(14)10-13/h7-8,10,16H,2-6,9,11-12H2,1H3.
What are the key properties of methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate?
methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 78966837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).