1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride

C17H25Cl3N2O3 — CID 119662031

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(OCCCN)CC1.Cl
InChIInChI=1S/C17H24Cl2N2O3.ClH/c1-12(24-16-4-3-13(18)11-15(16)19)17(22)21-8-5-14(6-9-21)23-10-2-7-20;/h3-4,11-12,14H,2,5-10,20H2,1H3;1H
InChIKeyGCERHSRFPZLDIO-UHFFFAOYSA-N
MW411.76 g/mol
LogP3.54
Rot. Bonds7

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride (PubChem CID 119662031) has the molecular formula C17H25Cl3N2O3 and a molecular weight of 411.76 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride
PubChem CID119662031
Molecular FormulaC17H25Cl3N2O3
Molecular Weight411.76 g/mol
Exact Mass410.09
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(OCCCN)CC1.Cl
InChIInChI=1S/C17H24Cl2N2O3.ClH/c1-12(24-16-4-3-13(18)11-15(16)19)17(22)21-8-5-14(6-9-21)23-10-2-7-20;/h3-4,11-12,14H,2,5-10,20H2,1H3;1H
InChIKeyGCERHSRFPZLDIO-UHFFFAOYSA-N
XLogP3.54
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.76
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one;hydrochloride
CID 119664095
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 119664096
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-bromo-4-methylphenoxy)propan-1-one
CID 119662092
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,5-dichlorophenyl)sulfanylpropan-1-one;hydrochloride
CID 119663326
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 119517369
2-(3-acetylphenoxy)-1-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 119661893
2-(2,4-dichlorophenoxy)-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]propan-1-one
CID 86813082
(2S)-2-(2,4-dichlorophenoxy)-1-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]propan-1-one
CID 99808429
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
CID 119661510
2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66262423
2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62370957
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone;hydrochloride
CID 119661557

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride (CID 119662031) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride is CC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(OCCCN)CC1.Cl.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride?
The InChIKey is GCERHSRFPZLDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O3.ClH/c1-12(24-16-4-3-13(18)11-15(16)19)17(22)21-8-5-14(6-9-21)23-10-2-7-20;/h3-4,11-12,14H,2,5-10,20H2,1H3;1H.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride has a molecular weight of 411.76 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride is sourced from PubChem (CID 119662031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).