1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone

C17H26N2O2 — CID 63255392

IUPAC1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN1CCCCC1C(C)N
InChIInChI=1S/C17H26N2O2/c1-13(18)16-8-5-6-10-19(16)11-12-21-17-9-4-3-7-15(17)14(2)20/h3-4,7,9,13,16H,5-6,8,10-12,18H2,1-2H3
InChIKeyDPPZILPASHWHLZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.47
Rot. Bonds6

About 1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone

1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone (PubChem CID 63255392) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
PubChem CID63255392
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN1CCCCC1C(C)N
InChIInChI=1S/C17H26N2O2/c1-13(18)16-8-5-6-10-19(16)11-12-21-17-9-4-3-7-15(17)14(2)20/h3-4,7,9,13,16H,5-6,8,10-12,18H2,1-2H3
InChIKeyDPPZILPASHWHLZ-UHFFFAOYSA-N
XLogP2.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 60690046
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911308
1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911329
1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911014
1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine
CID 63255908
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119911160
1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 25278451
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(2-chlorophenoxy)butan-1-one
CID 119437699
1-[2-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]phenyl]ethanone
CID 26546462
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone (CID 63255392) is 1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCN1CCCCC1C(C)N.
What is the InChIKey of 1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone?
The InChIKey is DPPZILPASHWHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(18)16-8-5-6-10-19(16)11-12-21-17-9-4-3-7-15(17)14(2)20/h3-4,7,9,13,16H,5-6,8,10-12,18H2,1-2H3.
What are the key properties of 1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone?
1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone is sourced from PubChem (CID 63255392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).