4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine

C16H23N — CID 84793092

IUPAC4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
SMILESCC1CCc2ccc(CC3CCNCC3)cc21
InChIInChI=1S/C16H23N/c1-12-2-4-15-5-3-14(11-16(12)15)10-13-6-8-17-9-7-13/h3,5,11-13,17H,2,4,6-10H2,1H3
InChIKeyLQJOEKCEYWATAV-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.28
Rot. Bonds2

About 4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine

4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine (PubChem CID 84793092) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
PubChem CID84793092
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
SMILESCC1CCc2ccc(CC3CCNCC3)cc21
InChIInChI=1S/C16H23N/c1-12-2-4-15-5-3-14(11-16(12)15)10-13-6-8-17-9-7-13/h3,5,11-13,17H,2,4,6-10H2,1H3
InChIKeyLQJOEKCEYWATAV-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine?
The IUPAC name of 4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine (CID 84793092) is 4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine.
What is the SMILES notation for 4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine?
The canonical SMILES for 4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine is CC1CCc2ccc(CC3CCNCC3)cc21.
What is the InChIKey of 4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine?
The InChIKey is LQJOEKCEYWATAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12-2-4-15-5-3-14(11-16(12)15)10-13-6-8-17-9-7-13/h3,5,11-13,17H,2,4,6-10H2,1H3.
What are the key properties of 4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine?
4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine has a molecular weight of 229.37 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine is sourced from PubChem (CID 84793092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).