1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride

C17H27ClN2O3 — CID 119373343

IUPAC1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
SMILESCCOc1ccc(OCCCC(=O)N2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-2-21-15-5-7-16(8-6-15)22-13-3-4-17(20)19-11-9-14(18)10-12-19;/h5-8,14H,2-4,9-13,18H2,1H3;1H
InChIKeyJHAVIGZIINCHNG-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.62
Rot. Bonds7

About 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride

1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride (PubChem CID 119373343) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
PubChem CID119373343
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
SMILESCCOc1ccc(OCCCC(=O)N2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-2-21-15-5-7-16(8-6-15)22-13-3-4-17(20)19-11-9-14(18)10-12-19;/h5-8,14H,2-4,9-13,18H2,1H3;1H
InChIKeyJHAVIGZIINCHNG-UHFFFAOYSA-N
XLogP2.62
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
CID 119376549
1-(4-aminopiperidin-1-yl)-3-(4-chlorophenoxy)propan-1-one;hydrochloride
CID 119373511
1-[(3R)-3-aminopyrrolidin-1-yl]-4-(4-fluorophenoxy)butan-1-one;hydrochloride
CID 119410463
(4-ethoxyphenyl) 4-aminopiperidine-1-carboxylate
CID 116819285
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one;hydrochloride
CID 119517972
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108536249
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 119644268
4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119559826
(E)-1-(4-aminopiperidin-1-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 82043241
1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
CID 119374179
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119466604
1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one
CID 19191324

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride (CID 119373343) is 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride is CCOc1ccc(OCCCC(=O)N2CCC(N)CC2)cc1.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride?
The InChIKey is JHAVIGZIINCHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-2-21-15-5-7-16(8-6-15)22-13-3-4-17(20)19-11-9-14(18)10-12-19;/h5-8,14H,2-4,9-13,18H2,1H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride?
1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride is sourced from PubChem (CID 119373343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).