(3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine

C16H24ClNO — CID 887574

IUPAC(3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine
SMILESCc1cc(C)c(OCCN2CCC[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-12-5-4-6-18(11-12)7-8-19-16-14(3)9-13(2)10-15(16)17/h9-10,12H,4-8,11H2,1-3H3/t12-/m1/s1
InChIKeyOCHJQTFQKMOYPN-GFCCVEGCSA-N
MW281.83 g/mol
LogP4.07
Rot. Bonds4

About (3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine

(3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine (PubChem CID 887574) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is (3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine
PubChem CID887574
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name(3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine
SMILESCc1cc(C)c(OCCN2CCC[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-12-5-4-6-18(11-12)7-8-19-16-14(3)9-13(2)10-15(16)17/h9-10,12H,4-8,11H2,1-3H3/t12-/m1/s1
InChIKeyOCHJQTFQKMOYPN-GFCCVEGCSA-N
XLogP4.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine
CID 2263039
4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine
CID 869403
(3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine
CID 2181266
3-chloro-5-methoxy-4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]aniline
CID 129362158
1-[2-(4-bromo-2-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid
CID 2935375
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline
CID 40788770
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine
CID 16616243
(3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
CID 893227
(3S)-3-methyl-1-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 2181514
1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine
CID 2935991

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine?
The IUPAC name of (3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine (CID 887574) is (3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine.
What is the SMILES notation for (3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine?
The canonical SMILES for (3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine is Cc1cc(C)c(OCCN2CCC[C@@H](C)C2)c(Cl)c1.
What is the InChIKey of (3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine?
The InChIKey is OCHJQTFQKMOYPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12-5-4-6-18(11-12)7-8-19-16-14(3)9-13(2)10-15(16)17/h9-10,12H,4-8,11H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine?
(3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine has a molecular weight of 281.83 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine is sourced from PubChem (CID 887574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).