2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine

C17H28N2O — CID 117239412

IUPAC2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine
SMILESCCN1CCC(C(CN)COc2ccc(C)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-3-19-10-8-15(9-11-19)16(12-18)13-20-17-6-4-14(2)5-7-17/h4-7,15-16H,3,8-13,18H2,1-2H3
InChIKeyVNHTXZHBUIRZLB-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.68
Rot. Bonds6

About 2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine

2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine (PubChem CID 117239412) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine
PubChem CID117239412
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine
SMILESCCN1CCC(C(CN)COc2ccc(C)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-3-19-10-8-15(9-11-19)16(12-18)13-20-17-6-4-14(2)5-7-17/h4-7,15-16H,3,8-13,18H2,1-2H3
InChIKeyVNHTXZHBUIRZLB-UHFFFAOYSA-N
XLogP2.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine
CID 117237996
3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine
CID 117239353
1-(1-ethylpiperidin-4-yl)-2-(4-methoxyphenoxy)ethanamine
CID 117238940
3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine
CID 117239407
2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 117238932
1-(1-ethylpiperidin-4-yl)-2-(4-fluorophenoxy)ethanamine
CID 117238931
4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol
CID 117239428
3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine
CID 117239255
2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238902
3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine
CID 117237900
3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 117239247
3-(4-chlorophenoxy)-2-(thian-4-yl)propan-1-amine
CID 117239379

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine (CID 117239412) is 2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine is CCN1CCC(C(CN)COc2ccc(C)cc2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine?
The InChIKey is VNHTXZHBUIRZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19-10-8-15(9-11-19)16(12-18)13-20-17-6-4-14(2)5-7-17/h4-7,15-16H,3,8-13,18H2,1-2H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine?
2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine is sourced from PubChem (CID 117239412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).