1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride

C15H21Cl3N2O2 — CID 119592635

IUPAC1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1.Cl
InChIInChI=1S/C15H20Cl2N2O2.ClH/c1-10(18)11-3-2-6-19(8-11)15(20)9-21-14-5-4-12(16)7-13(14)17;/h4-5,7,10-11H,2-3,6,8-9,18H2,1H3;1H
InChIKeyULUWPZGZHMJOMX-UHFFFAOYSA-N
MW367.70 g/mol
LogP3.38
Rot. Bonds4

About 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride

1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride (PubChem CID 119592635) has the molecular formula C15H21Cl3N2O2 and a molecular weight of 367.70 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
PubChem CID119592635
Molecular FormulaC15H21Cl3N2O2
Molecular Weight367.70 g/mol
Exact Mass366.07
IUPAC Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1.Cl
InChIInChI=1S/C15H20Cl2N2O2.ClH/c1-10(18)11-3-2-6-19(8-11)15(20)9-21-14-5-4-12(16)7-13(14)17;/h4-5,7,10-11H,2-3,6,8-9,18H2,1H3;1H
InChIKeyULUWPZGZHMJOMX-UHFFFAOYSA-N
XLogP3.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-bromo-4-chlorophenoxy)propan-1-one
CID 125146834
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(4-bromo-2-fluorophenoxy)ethanone
CID 124592217
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone
CID 124688800
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone;hydrochloride
CID 119593611
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 112630530
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(2-bromo-4-chlorophenyl)ethanone
CID 125147046
1-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 166893420
1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403003
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 124687485
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 122243477
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110817700

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride?
The IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride (CID 119592635) is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride?
The canonical SMILES for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride is CC(N)C1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1.Cl.
What is the InChIKey of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride?
The InChIKey is ULUWPZGZHMJOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2.ClH/c1-10(18)11-3-2-6-19(8-11)15(20)9-21-14-5-4-12(16)7-13(14)17;/h4-5,7,10-11H,2-3,6,8-9,18H2,1H3;1H.
What are the key properties of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride?
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride has a molecular weight of 367.70 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride is sourced from PubChem (CID 119592635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).