4-methyl-1-(naphthalen-1-ylmethyl)piperidine

C17H21N — CID 3353663

IUPAC4-methyl-1-(naphthalen-1-ylmethyl)piperidine
SMILESCC1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C17H21N/c1-14-9-11-18(12-10-14)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14H,9-13H2,1H3
InChIKeyZJGIOIRWZBZLEU-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.07
Rot. Bonds2

About 4-methyl-1-(naphthalen-1-ylmethyl)piperidine

4-methyl-1-(naphthalen-1-ylmethyl)piperidine (PubChem CID 3353663) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methyl-1-(naphthalen-1-ylmethyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(naphthalen-1-ylmethyl)piperidine
PubChem CID3353663
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name4-methyl-1-(naphthalen-1-ylmethyl)piperidine
SMILESCC1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C17H21N/c1-14-9-11-18(12-10-14)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14H,9-13H2,1H3
InChIKeyZJGIOIRWZBZLEU-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(naphthalen-1-ylmethyl)piperidine?
The IUPAC name of 4-methyl-1-(naphthalen-1-ylmethyl)piperidine (CID 3353663) is 4-methyl-1-(naphthalen-1-ylmethyl)piperidine.
What is the SMILES notation for 4-methyl-1-(naphthalen-1-ylmethyl)piperidine?
The canonical SMILES for 4-methyl-1-(naphthalen-1-ylmethyl)piperidine is CC1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 4-methyl-1-(naphthalen-1-ylmethyl)piperidine?
The InChIKey is ZJGIOIRWZBZLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-14-9-11-18(12-10-14)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14H,9-13H2,1H3.
What are the key properties of 4-methyl-1-(naphthalen-1-ylmethyl)piperidine?
4-methyl-1-(naphthalen-1-ylmethyl)piperidine has a molecular weight of 239.36 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(naphthalen-1-ylmethyl)piperidine is sourced from PubChem (CID 3353663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).