2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine

C16H23N — CID 106779340

IUPAC2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine
SMILESCC1CCC(Cc2ccc3c(c2)CCC3)NC1
InChIInChI=1S/C16H23N/c1-12-5-8-16(17-11-12)10-13-6-7-14-3-2-4-15(14)9-13/h6-7,9,12,16-17H,2-5,8,10-11H2,1H3
InChIKeyOCFDHYCMCOOCJA-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.11
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine

2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine (PubChem CID 106779340) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine
PubChem CID106779340
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine
SMILESCC1CCC(Cc2ccc3c(c2)CCC3)NC1
InChIInChI=1S/C16H23N/c1-12-5-8-16(17-11-12)10-13-6-7-14-3-2-4-15(14)9-13/h6-7,9,12,16-17H,2-5,8,10-11H2,1H3
InChIKeyOCFDHYCMCOOCJA-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,4-dimethylphenyl)methyl]-5-methylpiperidine
CID 81319007
2-[(4-ethylphenyl)methyl]-5-methylpiperidine
CID 81319513
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine
CID 106779365
2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine
CID 114605657
5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
CID 81319258
3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine
CID 106779364
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
(2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 143761484
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-methylpiperazine
CID 116928006
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613733
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-methylcyclopentyl)acetamide
CID 114549929

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine (CID 106779340) is 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine is CC1CCC(Cc2ccc3c(c2)CCC3)NC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine?
The InChIKey is OCFDHYCMCOOCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12-5-8-16(17-11-12)10-13-6-7-14-3-2-4-15(14)9-13/h6-7,9,12,16-17H,2-5,8,10-11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine?
2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine has a molecular weight of 229.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine is sourced from PubChem (CID 106779340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).