3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride

C15H23Cl2NO — CID 56829845

IUPAC3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride
SMILESCCc1cc(OCCC2CCCNC2)ccc1Cl.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-2-13-10-14(5-6-15(13)16)18-9-7-12-4-3-8-17-11-12;/h5-6,10,12,17H,2-4,7-9,11H2,1H3;1H
InChIKeyVKBJGKDWAIIEDW-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.09
Rot. Bonds5

About 3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride

3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride (PubChem CID 56829845) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride
PubChem CID56829845
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride
SMILESCCc1cc(OCCC2CCCNC2)ccc1Cl.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-2-13-10-14(5-6-15(13)16)18-9-7-12-4-3-8-17-11-12;/h5-6,10,12,17H,2-4,7-9,11H2,1H3;1H
InChIKeyVKBJGKDWAIIEDW-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3-chloro-4-nitrophenoxy)ethyl]piperidine
CID 62356879
(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
CID 86321619
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
CID 86321285
(3S)-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine
CID 86321569
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
(3S)-3-[2-(2-chloro-4-methylphenoxy)ethyl]piperidine
CID 86320313
(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine
CID 86321202
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride?
The IUPAC name of 3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride (CID 56829845) is 3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride?
The canonical SMILES for 3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride is CCc1cc(OCCC2CCCNC2)ccc1Cl.Cl.
What is the InChIKey of 3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride?
The InChIKey is VKBJGKDWAIIEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO.ClH/c1-2-13-10-14(5-6-15(13)16)18-9-7-12-4-3-8-17-11-12;/h5-6,10,12,17H,2-4,7-9,11H2,1H3;1H.
What are the key properties of 3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride?
3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride has a molecular weight of 304.26 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 56829845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).