1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine

C16H26N2O — CID 16793434

IUPAC1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
SMILESCCOc1ccc(C(N)CN2CCCCC2C)cc1
InChIInChI=1S/C16H26N2O/c1-3-19-15-9-7-14(8-10-15)16(17)12-18-11-5-4-6-13(18)2/h7-10,13,16H,3-6,11-12,17H2,1-2H3
InChIKeyKQZVYLUGOKIYEI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine

1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine (PubChem CID 16793434) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
PubChem CID16793434
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
SMILESCCOc1ccc(C(N)CN2CCCCC2C)cc1
InChIInChI=1S/C16H26N2O/c1-3-19-15-9-7-14(8-10-15)16(17)12-18-11-5-4-6-13(18)2/h7-10,13,16H,3-6,11-12,17H2,1-2H3
InChIKeyKQZVYLUGOKIYEI-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631
2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43106407
1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973650
1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 574512
2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 60973388
1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 3395732
ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate
CID 170886095
1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911329
N-(4-ethoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583349
N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43541063
(2S)-1-(4-bromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 1308324
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine (CID 16793434) is 1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine is CCOc1ccc(C(N)CN2CCCCC2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
The InChIKey is KQZVYLUGOKIYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-15-9-7-14(8-10-15)16(17)12-18-11-5-4-6-13(18)2/h7-10,13,16H,3-6,11-12,17H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 16793434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).