(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine

C13H19NO — CID 169114751

IUPAC(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
SMILESCOc1cccc([C@H]2CC[C@H](C)CN2)c1
InChIInChI=1S/C13H19NO/c1-10-6-7-13(14-9-10)11-4-3-5-12(8-11)15-2/h3-5,8,10,13-14H,6-7,9H2,1-2H3/t10-,13+/m0/s1
InChIKeyCDVLTGCUEOIVRZ-GXFFZTMASA-N
MW205.30 g/mol
LogP2.76
Rot. Bonds2

About (2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine

(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine (PubChem CID 169114751) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine.

Molecular Properties

Compound Name(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
PubChem CID169114751
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
SMILESCOc1cccc([C@H]2CC[C@H](C)CN2)c1
InChIInChI=1S/C13H19NO/c1-10-6-7-13(14-9-10)11-4-3-5-12(8-11)15-2/h3-5,8,10,13-14H,6-7,9H2,1-2H3/t10-,13+/m0/s1
InChIKeyCDVLTGCUEOIVRZ-GXFFZTMASA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
CID 82403223
N,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine
CID 164750088
2-(3-cyclobutylphenyl)-5-methylpiperidine
CID 114606010
2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane
CID 117227039
5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine
CID 84725237
(2S)-2-(3-methoxyphenyl)-5-methylmorpholine
CID 134607229
2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine
CID 105477705
2-(3-methoxyphenyl)-5-methyl-1,3-oxazolidine
CID 82281613
2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
CID 83638655
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine
CID 164750242
(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 126653334

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine?
The IUPAC name of (2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine (CID 169114751) is (2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine.
What is the SMILES notation for (2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine?
The canonical SMILES for (2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine is COc1cccc([C@H]2CC[C@H](C)CN2)c1.
What is the InChIKey of (2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine?
The InChIKey is CDVLTGCUEOIVRZ-GXFFZTMASA-N. The full InChI is InChI=1S/C13H19NO/c1-10-6-7-13(14-9-10)11-4-3-5-12(8-11)15-2/h3-5,8,10,13-14H,6-7,9H2,1-2H3/t10-,13+/m0/s1.
What are the key properties of (2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine?
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine has a molecular weight of 205.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine is sourced from PubChem (CID 169114751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).