4-[(2-chloro-5-methylphenoxy)methyl]piperidine

C13H18ClNO — CID 26191031

IUPAC4-[(2-chloro-5-methylphenoxy)methyl]piperidine
SMILESCc1ccc(Cl)c(OCC2CCNCC2)c1
InChIInChI=1S/C13H18ClNO/c1-10-2-3-12(14)13(8-10)16-9-11-4-6-15-7-5-11/h2-3,8,11,15H,4-7,9H2,1H3
InChIKeyMGSJIVMKLZUVBT-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.03
Rot. Bonds3

About 4-[(2-chloro-5-methylphenoxy)methyl]piperidine

4-[(2-chloro-5-methylphenoxy)methyl]piperidine (PubChem CID 26191031) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-[(2-chloro-5-methylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-chloro-5-methylphenoxy)methyl]piperidine
PubChem CID26191031
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-[(2-chloro-5-methylphenoxy)methyl]piperidine
SMILESCc1ccc(Cl)c(OCC2CCNCC2)c1
InChIInChI=1S/C13H18ClNO/c1-10-2-3-12(14)13(8-10)16-9-11-4-6-15-7-5-11/h2-3,8,11,15H,4-7,9H2,1H3
InChIKeyMGSJIVMKLZUVBT-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830834
4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine
CID 117436667
(3S)-3-[(2,4,5-trichlorophenoxy)methyl]pyrrolidine
CID 86320986
4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine
CID 158221465
4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine
CID 53410034
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine
CID 167417070
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
4-[2-(2-fluoro-5-methylphenoxy)ethyl]piperidine
CID 64854447

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-methylphenoxy)methyl]piperidine?
The IUPAC name of 4-[(2-chloro-5-methylphenoxy)methyl]piperidine (CID 26191031) is 4-[(2-chloro-5-methylphenoxy)methyl]piperidine.
What is the SMILES notation for 4-[(2-chloro-5-methylphenoxy)methyl]piperidine?
The canonical SMILES for 4-[(2-chloro-5-methylphenoxy)methyl]piperidine is Cc1ccc(Cl)c(OCC2CCNCC2)c1.
What is the InChIKey of 4-[(2-chloro-5-methylphenoxy)methyl]piperidine?
The InChIKey is MGSJIVMKLZUVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-2-3-12(14)13(8-10)16-9-11-4-6-15-7-5-11/h2-3,8,11,15H,4-7,9H2,1H3.
What are the key properties of 4-[(2-chloro-5-methylphenoxy)methyl]piperidine?
4-[(2-chloro-5-methylphenoxy)methyl]piperidine has a molecular weight of 239.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-methylphenoxy)methyl]piperidine is sourced from PubChem (CID 26191031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).