(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine

C15H21Cl2NO — CID 893165

IUPAC(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
SMILESC[C@@H]1C[C@H](C)CN(CCOc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H21Cl2NO/c1-11-7-12(2)10-18(9-11)5-6-19-15-4-3-13(16)8-14(15)17/h3-4,8,11-12H,5-7,9-10H2,1-2H3/t11-,12+
InChIKeyOJXUTEQKYARIAE-TXEJJXNPSA-N
MW302.24 g/mol
LogP4.35
Rot. Bonds4

About (3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine

(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine (PubChem CID 893165) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is (3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
PubChem CID893165
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
SMILESC[C@@H]1C[C@H](C)CN(CCOc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H21Cl2NO/c1-11-7-12(2)10-18(9-11)5-6-19-15-4-3-13(16)8-14(15)17/h3-4,8,11-12H,5-7,9-10H2,1-2H3/t11-,12+
InChIKeyOJXUTEQKYARIAE-TXEJJXNPSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893166
1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine
CID 63911030
1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 17358154
8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233711
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
1-[2-(2,4-dichlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440816
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride
CID 119924404
[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate
CID 91459026
2-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116683883
(3S,5S)-1-[3-(4-bromo-2-methylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184296
(2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2182592
1-[2-(2,4-dichlorophenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119590

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine?
The IUPAC name of (3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine (CID 893165) is (3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine.
What is the SMILES notation for (3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine?
The canonical SMILES for (3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine is C[C@@H]1C[C@H](C)CN(CCOc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine?
The InChIKey is OJXUTEQKYARIAE-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-11-7-12(2)10-18(9-11)5-6-19-15-4-3-13(16)8-14(15)17/h3-4,8,11-12H,5-7,9-10H2,1-2H3/t11-,12+.
What are the key properties of (3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine?
(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine has a molecular weight of 302.24 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 893165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).