3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine

C14H20ClNO — CID 15541141

IUPAC3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine
SMILESCc1cc(Cl)cc(C)c1OCC1CCCNC1
InChIInChI=1S/C14H20ClNO/c1-10-6-13(15)7-11(2)14(10)17-9-12-4-3-5-16-8-12/h6-7,12,16H,3-5,8-9H2,1-2H3
InChIKeyJWMRIADKUZVZQY-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.34
Rot. Bonds3

About 3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine

3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine (PubChem CID 15541141) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine
PubChem CID15541141
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine
SMILESCc1cc(Cl)cc(C)c1OCC1CCCNC1
InChIInChI=1S/C14H20ClNO/c1-10-6-13(15)7-11(2)14(10)17-9-12-4-3-5-16-8-12/h6-7,12,16H,3-5,8-9H2,1-2H3
InChIKeyJWMRIADKUZVZQY-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-[3,5-dimethyl-4-(piperidin-3-ylmethoxy)phenyl]sulfanyl-2,6-dimethylphenoxy]methyl]piperidine
CID 142119956
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117436703
2-chloro-4-methyl-6-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 97162859
3-[(4-bromo-3-methylphenoxy)methyl]piperidine;hydrochloride
CID 56830761
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
(3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine
CID 86320246
3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
CID 58992633
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
CID 92670023

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine?
The IUPAC name of 3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine (CID 15541141) is 3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine.
What is the SMILES notation for 3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine?
The canonical SMILES for 3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine is Cc1cc(Cl)cc(C)c1OCC1CCCNC1.
What is the InChIKey of 3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine?
The InChIKey is JWMRIADKUZVZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-6-13(15)7-11(2)14(10)17-9-12-4-3-5-16-8-12/h6-7,12,16H,3-5,8-9H2,1-2H3.
What are the key properties of 3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine?
3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine has a molecular weight of 253.77 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine is sourced from PubChem (CID 15541141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).