4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride

C14H22ClNO — CID 56831093

IUPAC4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
SMILESCc1ccc(OCC2CCNCC2)cc1C.Cl
InChIInChI=1S/C14H21NO.ClH/c1-11-3-4-14(9-12(11)2)16-10-13-5-7-15-8-6-13;/h3-4,9,13,15H,5-8,10H2,1-2H3;1H
InChIKeyZBGUXPJLZVYYID-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.10
Rot. Bonds3

About 4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride

4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride (PubChem CID 56831093) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
PubChem CID56831093
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
SMILESCc1ccc(OCC2CCNCC2)cc1C.Cl
InChIInChI=1S/C14H21NO.ClH/c1-11-3-4-14(9-12(11)2)16-10-13-5-7-15-8-6-13;/h3-4,9,13,15H,5-8,10H2,1-2H3;1H
InChIKeyZBGUXPJLZVYYID-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
2-methyl-4-(piperidin-4-ylmethoxy)benzamide
CID 81276896
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
2,3-dimethyl-6-(piperidin-4-ylmethoxy)quinoxaline
CID 82189775
4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
CID 46735634
4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968
3-(piperidin-4-ylmethoxy)aniline
CID 89233329
4-[(3-chlorophenoxy)methyl]piperidine
CID 26191052
3-[(3-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 56830431
7-(piperidin-4-ylmethoxy)chromen-2-one
CID 26191137

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride (CID 56831093) is 4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride is Cc1ccc(OCC2CCNCC2)cc1C.Cl.
What is the InChIKey of 4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride?
The InChIKey is ZBGUXPJLZVYYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-11-3-4-14(9-12(11)2)16-10-13-5-7-15-8-6-13;/h3-4,9,13,15H,5-8,10H2,1-2H3;1H.
What are the key properties of 4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride?
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride is sourced from PubChem (CID 56831093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).