3-methyl-3-(naphthalen-1-ylmethoxy)piperidine

C17H21NO — CID 107385701

IUPAC3-methyl-3-(naphthalen-1-ylmethoxy)piperidine
SMILESCC1(OCc2cccc3ccccc23)CCCNC1
InChIInChI=1S/C17H21NO/c1-17(10-5-11-18-13-17)19-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-4,6-9,18H,5,10-13H2,1H3
InChIKeyPKRGJMGCXNSBBW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.50
Rot. Bonds3

About 3-methyl-3-(naphthalen-1-ylmethoxy)piperidine

3-methyl-3-(naphthalen-1-ylmethoxy)piperidine (PubChem CID 107385701) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-methyl-3-(naphthalen-1-ylmethoxy)piperidine.

Molecular Properties

Compound Name3-methyl-3-(naphthalen-1-ylmethoxy)piperidine
PubChem CID107385701
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-methyl-3-(naphthalen-1-ylmethoxy)piperidine
SMILESCC1(OCc2cccc3ccccc23)CCCNC1
InChIInChI=1S/C17H21NO/c1-17(10-5-11-18-13-17)19-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-4,6-9,18H,5,10-13H2,1H3
InChIKeyPKRGJMGCXNSBBW-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(naphthalen-1-ylmethoxy)piperidine?
The IUPAC name of 3-methyl-3-(naphthalen-1-ylmethoxy)piperidine (CID 107385701) is 3-methyl-3-(naphthalen-1-ylmethoxy)piperidine.
What is the SMILES notation for 3-methyl-3-(naphthalen-1-ylmethoxy)piperidine?
The canonical SMILES for 3-methyl-3-(naphthalen-1-ylmethoxy)piperidine is CC1(OCc2cccc3ccccc23)CCCNC1.
What is the InChIKey of 3-methyl-3-(naphthalen-1-ylmethoxy)piperidine?
The InChIKey is PKRGJMGCXNSBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(10-5-11-18-13-17)19-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-4,6-9,18H,5,10-13H2,1H3.
What are the key properties of 3-methyl-3-(naphthalen-1-ylmethoxy)piperidine?
3-methyl-3-(naphthalen-1-ylmethoxy)piperidine has a molecular weight of 255.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(naphthalen-1-ylmethoxy)piperidine is sourced from PubChem (CID 107385701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).