[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine

C15H24N2O — CID 106485036

IUPAC[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
SMILESCN1CCCCC1CCOc1cccc(CN)c1
InChIInChI=1S/C15H24N2O/c1-17-9-3-2-6-14(17)8-10-18-15-7-4-5-13(11-15)12-16/h4-5,7,11,14H,2-3,6,8-10,12,16H2,1H3
InChIKeyWGAPKSGWORMUSS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.40
Rot. Bonds5

About [3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine

[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine (PubChem CID 106485036) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
PubChem CID106485036
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
SMILESCN1CCCCC1CCOc1cccc(CN)c1
InChIInChI=1S/C15H24N2O/c1-17-9-3-2-6-14(17)8-10-18-15-7-4-5-13(11-15)12-16/h4-5,7,11,14H,2-3,6,8-10,12,16H2,1H3
InChIKeyWGAPKSGWORMUSS-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 102814695
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
[4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine
CID 62458293
(1R)-1-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912832
[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 81279315
3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912530
3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913130
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
CID 63623878

Frequently Asked Questions

What is the IUPAC name of [3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine (CID 106485036) is [3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine is CN1CCCCC1CCOc1cccc(CN)c1.
What is the InChIKey of [3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine?
The InChIKey is WGAPKSGWORMUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17-9-3-2-6-14(17)8-10-18-15-7-4-5-13(11-15)12-16/h4-5,7,11,14H,2-3,6,8-10,12,16H2,1H3.
What are the key properties of [3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine?
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine has a molecular weight of 248.37 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-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 106485036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).