1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine

C17H28N2O — CID 62431792

IUPAC1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCCC1CCCN(CCOc2ccc(CNC)cc2)C1
InChIInChI=1S/C17H28N2O/c1-3-15-5-4-10-19(14-15)11-12-20-17-8-6-16(7-9-17)13-18-2/h6-9,15,18H,3-5,10-14H2,1-2H3
InChIKeyDSXAAXGMGAQPBG-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.91
Rot. Bonds7

About 1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine

1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 62431792) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID62431792
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCCC1CCCN(CCOc2ccc(CNC)cc2)C1
InChIInChI=1S/C17H28N2O/c1-3-15-5-4-10-19(14-15)11-12-20-17-8-6-16(7-9-17)13-18-2/h6-9,15,18H,3-5,10-14H2,1-2H3
InChIKeyDSXAAXGMGAQPBG-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102968100
4-[2-[3-(methylaminomethyl)piperidin-1-yl]ethoxy]benzonitrile
CID 61203832
[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915656
1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62413368
N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921928
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine
CID 62560982
(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 107225998
N-methyl-1-[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methanamine
CID 114413327
2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
CID 62689445
1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine
CID 64583405

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine (CID 62431792) is 1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine is CCC1CCCN(CCOc2ccc(CNC)cc2)C1.
What is the InChIKey of 1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is DSXAAXGMGAQPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-15-5-4-10-19(14-15)11-12-20-17-8-6-16(7-9-17)13-18-2/h6-9,15,18H,3-5,10-14H2,1-2H3.
What are the key properties of 1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62431792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).