[2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine

C17H28N2O — CID 81322503

IUPAC[2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine
SMILESCCCOC1CCCN(CCc2ccccc2CN)C1
InChIInChI=1S/C17H28N2O/c1-2-12-20-17-8-5-10-19(14-17)11-9-15-6-3-4-7-16(15)13-18/h3-4,6-7,17H,2,5,8-14,18H2,1H3
InChIKeyREUNTNGNIRRSST-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.58
Rot. Bonds7

About [2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine

[2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine (PubChem CID 81322503) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine
PubChem CID81322503
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine
SMILESCCCOC1CCCN(CCc2ccccc2CN)C1
InChIInChI=1S/C17H28N2O/c1-2-12-20-17-8-5-10-19(14-17)11-9-15-6-3-4-7-16(15)13-18/h3-4,6-7,17H,2,5,8-14,18H2,1H3
InChIKeyREUNTNGNIRRSST-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline
CID 62495233
[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine
CID 106587342
[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 113417886
2-phenyl-1-(3-propoxypiperidin-1-yl)propan-2-ol
CID 62375325
1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol
CID 64819801
[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine
CID 81322728
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888050
4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
CID 62881276
2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 62414680
[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenyl]methanamine
CID 115560349
[2-[2-(2-ethylmorpholin-4-yl)ethyl]phenyl]methanamine
CID 81321825
3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine
CID 91834260

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine?
The IUPAC name of [2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine (CID 81322503) is [2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine.
What is the SMILES notation for [2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine?
The canonical SMILES for [2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine is CCCOC1CCCN(CCc2ccccc2CN)C1.
What is the InChIKey of [2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine?
The InChIKey is REUNTNGNIRRSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-12-20-17-8-5-10-19(14-17)11-9-15-6-3-4-7-16(15)13-18/h3-4,6-7,17H,2,5,8-14,18H2,1H3.
What are the key properties of [2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine?
[2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine has a molecular weight of 276.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine is sourced from PubChem (CID 81322503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).