3-(3-piperidin-1-ylphenoxy)propan-1-amine

C14H22N2O — CID 19816119

IUPAC3-(3-piperidin-1-ylphenoxy)propan-1-amine
SMILESNCCCOc1cccc(N2CCCCC2)c1
InChIInChI=1S/C14H22N2O/c15-8-5-11-17-14-7-4-6-13(12-14)16-9-2-1-3-10-16/h4,6-7,12H,1-3,5,8-11,15H2
InChIKeyZMAQTWMOQKAWBY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.40
Rot. Bonds5

About 3-(3-piperidin-1-ylphenoxy)propan-1-amine

3-(3-piperidin-1-ylphenoxy)propan-1-amine (PubChem CID 19816119) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3-piperidin-1-ylphenoxy)propan-1-amine.

Molecular Properties

Compound Name3-(3-piperidin-1-ylphenoxy)propan-1-amine
PubChem CID19816119
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(3-piperidin-1-ylphenoxy)propan-1-amine
SMILESNCCCOc1cccc(N2CCCCC2)c1
InChIInChI=1S/C14H22N2O/c15-8-5-11-17-14-7-4-6-13(12-14)16-9-2-1-3-10-16/h4,6-7,12H,1-3,5,8-11,15H2
InChIKeyZMAQTWMOQKAWBY-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-tetradecoxyphenyl)pyrrolidine
CID 54006267
3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
CID 14625124
3-[3-(azepan-1-yl)phenyl]propan-1-amine
CID 28806993
3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine
CID 20567191
1-(3-methoxyphenyl)azepane
CID 57276431
2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine
CID 79677781
1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine
CID 146098529
1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine
CID 168512674
4-(3-pent-4-ynoxyphenyl)morpholine
CID 71317266
1-[3-(3-ethoxypropoxy)phenyl]piperidin-4-amine
CID 65181181
1-(3-methylphenyl)piperidine;propane
CID 143942273
2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 54961021

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-1-ylphenoxy)propan-1-amine?
The IUPAC name of 3-(3-piperidin-1-ylphenoxy)propan-1-amine (CID 19816119) is 3-(3-piperidin-1-ylphenoxy)propan-1-amine.
What is the SMILES notation for 3-(3-piperidin-1-ylphenoxy)propan-1-amine?
The canonical SMILES for 3-(3-piperidin-1-ylphenoxy)propan-1-amine is NCCCOc1cccc(N2CCCCC2)c1.
What is the InChIKey of 3-(3-piperidin-1-ylphenoxy)propan-1-amine?
The InChIKey is ZMAQTWMOQKAWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-8-5-11-17-14-7-4-6-13(12-14)16-9-2-1-3-10-16/h4,6-7,12H,1-3,5,8-11,15H2.
What are the key properties of 3-(3-piperidin-1-ylphenoxy)propan-1-amine?
3-(3-piperidin-1-ylphenoxy)propan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-1-ylphenoxy)propan-1-amine is sourced from PubChem (CID 19816119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).