2-[2-(3-propoxyphenyl)ethyl]piperidine

C16H25NO — CID 62497478

IUPAC2-[2-(3-propoxyphenyl)ethyl]piperidine
SMILESCCCOc1cccc(CCC2CCCCN2)c1
InChIInChI=1S/C16H25NO/c1-2-12-18-16-8-5-6-14(13-16)9-10-15-7-3-4-11-17-15/h5-6,8,13,15,17H,2-4,7,9-12H2,1H3
InChIKeyHUGYWGRWTKEHQC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds6

About 2-[2-(3-propoxyphenyl)ethyl]piperidine

2-[2-(3-propoxyphenyl)ethyl]piperidine (PubChem CID 62497478) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[2-(3-propoxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(3-propoxyphenyl)ethyl]piperidine
PubChem CID62497478
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[2-(3-propoxyphenyl)ethyl]piperidine
SMILESCCCOc1cccc(CCC2CCCCN2)c1
InChIInChI=1S/C16H25NO/c1-2-12-18-16-8-5-6-14(13-16)9-10-15-7-3-4-11-17-15/h5-6,8,13,15,17H,2-4,7,9-12H2,1H3
InChIKeyHUGYWGRWTKEHQC-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
CID 28749803
2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145
2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine
CID 82354040
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067
N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602830
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
CID 59752871
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
CID 82354047
N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine
CID 64866845
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
N-(piperidin-2-ylmethyl)-3-propoxybenzamide
CID 62919504
2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606438
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propoxyphenyl)ethyl]piperidine?
The IUPAC name of 2-[2-(3-propoxyphenyl)ethyl]piperidine (CID 62497478) is 2-[2-(3-propoxyphenyl)ethyl]piperidine.
What is the SMILES notation for 2-[2-(3-propoxyphenyl)ethyl]piperidine?
The canonical SMILES for 2-[2-(3-propoxyphenyl)ethyl]piperidine is CCCOc1cccc(CCC2CCCCN2)c1.
What is the InChIKey of 2-[2-(3-propoxyphenyl)ethyl]piperidine?
The InChIKey is HUGYWGRWTKEHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-12-18-16-8-5-6-14(13-16)9-10-15-7-3-4-11-17-15/h5-6,8,13,15,17H,2-4,7,9-12H2,1H3.
What are the key properties of 2-[2-(3-propoxyphenyl)ethyl]piperidine?
2-[2-(3-propoxyphenyl)ethyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-propoxyphenyl)ethyl]piperidine is sourced from PubChem (CID 62497478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).