N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine

C17H29N3O — CID 43253521

IUPACN-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CCOc2ccc(CCN)cc2)CC1
InChIInChI=1S/C17H29N3O/c1-19-11-8-16(9-12-19)20(2)13-14-21-17-5-3-15(4-6-17)7-10-18/h3-6,16H,7-14,18H2,1-2H3
InChIKeyPJLYRTAQUDONNO-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.59
Rot. Bonds7

About N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine

N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 43253521) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine
PubChem CID43253521
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CCOc2ccc(CCN)cc2)CC1
InChIInChI=1S/C17H29N3O/c1-19-11-8-16(9-12-19)20(2)13-14-21-17-5-3-15(4-6-17)7-10-18/h3-6,16H,7-14,18H2,1-2H3
InChIKeyPJLYRTAQUDONNO-UHFFFAOYSA-N
XLogP1.59
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266888
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane
CID 144962995
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine
CID 62860390
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
4-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 20985865
3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxy]benzonitrile
CID 43288713
2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 43253338
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine
CID 43253445
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648583

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine (CID 43253521) is N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)CCOc2ccc(CCN)cc2)CC1.
What is the InChIKey of N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is PJLYRTAQUDONNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-19-11-8-16(9-12-19)20(2)13-14-21-17-5-3-15(4-6-17)7-10-18/h3-6,16H,7-14,18H2,1-2H3.
What are the key properties of N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine?
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 43253521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).