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

C17H23Cl3N2O2 — CID 119621544

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)cc1Cl)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H22Cl2N2O2.ClH/c18-13-3-4-16(15(19)9-13)23-11-17(22)21-7-5-14(6-8-21)20-10-12-1-2-12;/h3-4,9,12,14,20H,1-2,5-8,10-11H2;1H
InChIKeyWLJJZOYQMKSLSW-UHFFFAOYSA-N
MW393.74 g/mol
LogP3.78
Rot. Bonds6

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

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride (PubChem CID 119621544) has the molecular formula C17H23Cl3N2O2 and a molecular weight of 393.74 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
PubChem CID119621544
Molecular FormulaC17H23Cl3N2O2
Molecular Weight393.74 g/mol
Exact Mass392.08
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)cc1Cl)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H22Cl2N2O2.ClH/c18-13-3-4-16(15(19)9-13)23-11-17(22)21-7-5-14(6-8-21)20-10-12-1-2-12;/h3-4,9,12,14,20H,1-2,5-8,10-11H2;1H
InChIKeyWLJJZOYQMKSLSW-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone;hydrochloride
CID 119621657
2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 119621572
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119624635
2-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119644105
2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone
CID 138580569
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119621558
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide
CID 108551390
2-cyano-N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]acetamide
CID 108922055
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 119622234
N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935300

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride (CID 119621544) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride is Cl.O=C(COc1ccc(Cl)cc1Cl)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride?
The InChIKey is WLJJZOYQMKSLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2.ClH/c18-13-3-4-16(15(19)9-13)23-11-17(22)21-7-5-14(6-8-21)20-10-12-1-2-12;/h3-4,9,12,14,20H,1-2,5-8,10-11H2;1H.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride has a molecular weight of 393.74 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride is sourced from PubChem (CID 119621544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).