(3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine

C23H33NO — CID 7377531

IUPAC(3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine
SMILESC[C@@H]1C[C@H](C)CN(CCCCCCOc2cccc3ccccc23)C1
InChIInChI=1S/C23H33NO/c1-19-16-20(2)18-24(17-19)14-7-3-4-8-15-25-23-13-9-11-21-10-5-6-12-22(21)23/h5-6,9-13,19-20H,3-4,7-8,14-18H2,1-2H3/t19-,20+
InChIKeyPURCLIABRYQFOP-BGYRXZFFSA-N
MW339.52 g/mol
LogP5.76
Rot. Bonds8

About (3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine

(3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine (PubChem CID 7377531) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is (3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine.

Molecular Properties

Compound Name(3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine
PubChem CID7377531
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name(3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine
SMILESC[C@@H]1C[C@H](C)CN(CCCCCCOc2cccc3ccccc23)C1
InChIInChI=1S/C23H33NO/c1-19-16-20(2)18-24(17-19)14-7-3-4-8-15-25-23-13-9-11-21-10-5-6-12-22(21)23/h5-6,9-13,19-20H,3-4,7-8,14-18H2,1-2H3/t19-,20+
InChIKeyPURCLIABRYQFOP-BGYRXZFFSA-N
XLogP5.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid
CID 2924114
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
CID 160697643
2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline
CID 43174256
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2934051
2-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propoxy]benzoic acid
CID 26582010
2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butoxy]-3-methoxybenzaldehyde
CID 7380102
(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2300152
[1-(2-naphthalen-1-yloxyethyl)azetidin-3-yl]methanamine
CID 71151801
(3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium
CID 7377440
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2934238
3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine
CID 57150141

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine?
The IUPAC name of (3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine (CID 7377531) is (3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine.
What is the SMILES notation for (3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine?
The canonical SMILES for (3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine is C[C@@H]1C[C@H](C)CN(CCCCCCOc2cccc3ccccc23)C1.
What is the InChIKey of (3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine?
The InChIKey is PURCLIABRYQFOP-BGYRXZFFSA-N. The full InChI is InChI=1S/C23H33NO/c1-19-16-20(2)18-24(17-19)14-7-3-4-8-15-25-23-13-9-11-21-10-5-6-12-22(21)23/h5-6,9-13,19-20H,3-4,7-8,14-18H2,1-2H3/t19-,20+.
What are the key properties of (3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine?
(3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine has a molecular weight of 339.52 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine is sourced from PubChem (CID 7377531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).