4-(3-ethylphenoxy)piperidine;hydrochloride

C13H20ClNO — CID 46735688

IUPAC4-(3-ethylphenoxy)piperidine;hydrochloride
SMILESCCc1cccc(OC2CCNCC2)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-11-4-3-5-13(10-11)15-12-6-8-14-9-7-12;/h3-5,10,12,14H,2,6-9H2,1H3;1H
InChIKeyDAYCXJYWXNGBIY-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.80
Rot. Bonds3

About 4-(3-ethylphenoxy)piperidine;hydrochloride

4-(3-ethylphenoxy)piperidine;hydrochloride (PubChem CID 46735688) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(3-ethylphenoxy)piperidine;hydrochloride
PubChem CID46735688
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name4-(3-ethylphenoxy)piperidine;hydrochloride
SMILESCCc1cccc(OC2CCNCC2)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-11-4-3-5-13(10-11)15-12-6-8-14-9-7-12;/h3-5,10,12,14H,2,6-9H2,1H3;1H
InChIKeyDAYCXJYWXNGBIY-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(3-ethylphenoxy)pyrrolidine
CID 26192115
(3-ethylphenoxy)cyclooctane
CID 91220327
2-(3-ethylphenoxy)piperidine
CID 91241218
methyl 3-(3-piperidin-4-yloxyphenyl)propanoate
CID 144899460
3-ethyl-5-piperidin-4-yloxypyridine
CID 71051348
(3S)-3-[(3-ethylphenoxy)methyl]pyrrolidine;hydrochloride
CID 165429467
1-(3-bromocyclobutyl)oxy-3-ethylbenzene
CID 66345315
3-(3-ethylphenoxy)cyclopentan-1-ol
CID 79632352
CID 59418392
CID 59418392
3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine
CID 84785505
4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride
CID 56830986
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)piperidine;hydrochloride?
The IUPAC name of 4-(3-ethylphenoxy)piperidine;hydrochloride (CID 46735688) is 4-(3-ethylphenoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-(3-ethylphenoxy)piperidine;hydrochloride?
The canonical SMILES for 4-(3-ethylphenoxy)piperidine;hydrochloride is CCc1cccc(OC2CCNCC2)c1.Cl.
What is the InChIKey of 4-(3-ethylphenoxy)piperidine;hydrochloride?
The InChIKey is DAYCXJYWXNGBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-2-11-4-3-5-13(10-11)15-12-6-8-14-9-7-12;/h3-5,10,12,14H,2,6-9H2,1H3;1H.
What are the key properties of 4-(3-ethylphenoxy)piperidine;hydrochloride?
4-(3-ethylphenoxy)piperidine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)piperidine;hydrochloride is sourced from PubChem (CID 46735688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).