ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate

C17H24ClNO3 — CID 6458009

IUPACethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCOc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C17H24ClNO3/c1-3-21-17(20)14-6-8-19(9-7-14)10-11-22-16-5-4-15(18)12-13(16)2/h4-5,12,14H,3,6-11H2,1-2H3
InChIKeyWOUSXFZHYSIROD-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.30
Rot. Bonds6

About ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate

ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate (PubChem CID 6458009) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate
PubChem CID6458009
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Nameethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCOc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C17H24ClNO3/c1-3-21-17(20)14-6-8-19(9-7-14)10-11-22-16-5-4-15(18)12-13(16)2/h4-5,12,14H,3,6-11H2,1-2H3
InChIKeyWOUSXFZHYSIROD-UHFFFAOYSA-N
XLogP3.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate
CID 6457402
ethyl 1-[4-(2-chloro-4-methylphenoxy)butyl]piperidine-4-carboxylate
CID 6460755
1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine
CID 2263109
[4-[2-(4-chloro-2-methylphenoxy)ethyl]piperazin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 97437195
ethyl 1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine-4-carboxylate;hydrochloride
CID 6461141
ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 25286
ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 79255884
ethyl 1-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]piperidine-4-carboxylate;hydrochloride
CID 6459976
ethyl (3S)-1-[2-(3-chlorophenoxy)ethyl]piperidine-3-carboxylate
CID 27186879
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate (CID 6458009) is ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCOc2ccc(Cl)cc2C)CC1.
What is the InChIKey of ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate?
The InChIKey is WOUSXFZHYSIROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-3-21-17(20)14-6-8-19(9-7-14)10-11-22-16-5-4-15(18)12-13(16)2/h4-5,12,14H,3,6-11H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate has a molecular weight of 325.84 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 6458009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).