1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride

C16H26ClNO2 — CID 3030633

IUPAC1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
SMILESCCCOc1ccc(OCCN2CCCCC2)cc1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-2-13-18-15-6-8-16(9-7-15)19-14-12-17-10-4-3-5-11-17;/h6-9H,2-5,10-14H2,1H3;1H
InChIKeyJEQNHJOTPBJPFM-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.76
Rot. Bonds7

About 1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride

1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride (PubChem CID 3030633) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
PubChem CID3030633
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
SMILESCCCOc1ccc(OCCN2CCCCC2)cc1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-2-13-18-15-6-8-16(9-7-15)19-14-12-17-10-4-3-5-11-17;/h6-9H,2-5,10-14H2,1H3;1H
InChIKeyJEQNHJOTPBJPFM-UHFFFAOYSA-N
XLogP3.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine
CID 70865812
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 63677681
N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 46890555
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride
CID 3079543
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride?
The IUPAC name of 1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride (CID 3030633) is 1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride is CCCOc1ccc(OCCN2CCCCC2)cc1.Cl.
What is the InChIKey of 1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride?
The InChIKey is JEQNHJOTPBJPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c1-2-13-18-15-6-8-16(9-7-15)19-14-12-17-10-4-3-5-11-17;/h6-9H,2-5,10-14H2,1H3;1H.
What are the key properties of 1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride?
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 3030633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).