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

C16H23N — CID 106779365

IUPAC5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine
SMILESCC1CCC(Cc2ccc3c(c2)CCC3)CN1
InChIInChI=1S/C16H23N/c1-12-5-6-14(11-17-12)9-13-7-8-15-3-2-4-16(15)10-13/h7-8,10,12,14,17H,2-6,9,11H2,1H3
InChIKeyWMGZQAYQOJQJFI-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.11
Rot. Bonds2

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

5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine (PubChem CID 106779365) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine
PubChem CID106779365
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine
SMILESCC1CCC(Cc2ccc3c(c2)CCC3)CN1
InChIInChI=1S/C16H23N/c1-12-5-6-14(11-17-12)9-13-7-8-15-3-2-4-16(15)10-13/h7-8,10,12,14,17H,2-6,9,11H2,1H3
InChIKeyWMGZQAYQOJQJFI-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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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine (CID 106779365) is 5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine is CC1CCC(Cc2ccc3c(c2)CCC3)CN1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine?
The InChIKey is WMGZQAYQOJQJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12-5-6-14(11-17-12)9-13-7-8-15-3-2-4-16(15)10-13/h7-8,10,12,14,17H,2-6,9,11H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine?
5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-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 5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine is sourced from PubChem (CID 106779365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).