(2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine

C14H20ClNO — CID 144850404

IUPAC(2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine
SMILESCC[C@H]1CC(Oc2cc(C)cc(Cl)c2)CCN1
InChIInChI=1S/C14H20ClNO/c1-3-12-9-13(4-5-16-12)17-14-7-10(2)6-11(15)8-14/h6-8,12-13,16H,3-5,9H2,1-2H3/t12-,13?/m0/s1
InChIKeyYCTUJGOYWUXJQT-UEWDXFNNSA-N
MW253.77 g/mol
LogP3.56
Rot. Bonds3

About (2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine

(2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine (PubChem CID 144850404) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine.

Molecular Properties

Compound Name(2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine
PubChem CID144850404
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine
SMILESCC[C@H]1CC(Oc2cc(C)cc(Cl)c2)CCN1
InChIInChI=1S/C14H20ClNO/c1-3-12-9-13(4-5-16-12)17-14-7-10(2)6-11(15)8-14/h6-8,12-13,16H,3-5,9H2,1-2H3/t12-,13?/m0/s1
InChIKeyYCTUJGOYWUXJQT-UEWDXFNNSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-{3-[(3-Chlorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263314
4-{3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263322
4-{3-[(1R)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263323
4-{3-[1-(3-Chlorophenyl)propoxy]-2-methylphenyl}piperidine
CID 25263324
3-(3-Chlorophenoxy)-8-azabicyclo[3.2.1]octane
CID 11230136
3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 12807452
exo-(1R,5S)-3-(5-chlorobiphenyl-3-yloxy)-8-azabicyclo[3.2.1]octane
CID 16678084
4-[(3-Chloro-phenoxy)-phenyl-methyl]-piperidine
CID 23562860
exo-(1R,5S)-3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane
CID 53320864
4-(3-Chlorophenoxy)piperidine
CID 2735317
4-(3-Methylphenoxy)piperidine hydrochloride
CID 17196729
2-(5-Chloro-2-ethoxyphenyl)piperidine hydrochloride
CID 17389940

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine?
The IUPAC name of (2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine (CID 144850404) is (2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine.
What is the SMILES notation for (2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine?
The canonical SMILES for (2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine is CC[C@H]1CC(Oc2cc(C)cc(Cl)c2)CCN1.
What is the InChIKey of (2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine?
The InChIKey is YCTUJGOYWUXJQT-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-12-9-13(4-5-16-12)17-14-7-10(2)6-11(15)8-14/h6-8,12-13,16H,3-5,9H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of (2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine?
(2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine has a molecular weight of 253.77 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-chloro-5-methylphenoxy)-2-ethylpiperidine is sourced from PubChem (CID 144850404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).