3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine

C16H26N2O — CID 112509278

IUPAC3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine
SMILESCCOc1cccc(C(CCN)N2CCCCC2)c1
InChIInChI=1S/C16H26N2O/c1-2-19-15-8-6-7-14(13-15)16(9-10-17)18-11-4-3-5-12-18/h6-8,13,16H,2-5,9-12,17H2,1H3
InChIKeyMQGRFIFWJMOTFD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds6

About 3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine

3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine (PubChem CID 112509278) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine
PubChem CID112509278
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine
SMILESCCOc1cccc(C(CCN)N2CCCCC2)c1
InChIInChI=1S/C16H26N2O/c1-2-19-15-8-6-7-14(13-15)16(9-10-17)18-11-4-3-5-12-18/h6-8,13,16H,2-5,9-12,17H2,1H3
InChIKeyMQGRFIFWJMOTFD-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
CID 112501196
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CID 61419864
2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 62497316
1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
CID 171277911
1-[(1S)-1-(3-ethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
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2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
CID 61212628
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol
CID 61048843
1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307836
3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine
CID 20567191
1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166417
2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine
CID 63605407

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of 3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine (CID 112509278) is 3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine is CCOc1cccc(C(CCN)N2CCCCC2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine?
The InChIKey is MQGRFIFWJMOTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-19-15-8-6-7-14(13-15)16(9-10-17)18-11-4-3-5-12-18/h6-8,13,16H,2-5,9-12,17H2,1H3.
What are the key properties of 3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine?
3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 112509278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).