2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride

C20H23Cl3N2O2 — CID 119339060

IUPAC2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O2.ClH/c21-17-7-6-14(12-18(17)22)13-26-16-8-10-24(11-9-16)20(25)19(23)15-4-2-1-3-5-15;/h1-7,12,16,19H,8-11,13,23H2;1H
InChIKeyIEIWIJKKCFHIPW-UHFFFAOYSA-N
MW429.78 g/mol
LogP4.62
Rot. Bonds5

About 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride

2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride (PubChem CID 119339060) has the molecular formula C20H23Cl3N2O2 and a molecular weight of 429.78 g/mol. Its IUPAC name is 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride
PubChem CID119339060
Molecular FormulaC20H23Cl3N2O2
Molecular Weight429.78 g/mol
Exact Mass428.08
IUPAC Name2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O2.ClH/c21-17-7-6-14(12-18(17)22)13-26-16-8-10-24(11-9-16)20(25)19(23)15-4-2-1-3-5-15;/h1-7,12,16,19H,8-11,13,23H2;1H
InChIKeyIEIWIJKKCFHIPW-UHFFFAOYSA-N
XLogP4.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.78
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 119339061
(2S)-2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 119339045
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one
CID 119810716
2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride
CID 119810709
4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120593766
4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one
CID 75513595
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 119290335
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid
CID 122022190
[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637219
2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119341905
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride?
The IUPAC name of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride (CID 119339060) is 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride is Cl.NC(C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride?
The InChIKey is IEIWIJKKCFHIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2.ClH/c21-17-7-6-14(12-18(17)22)13-26-16-8-10-24(11-9-16)20(25)19(23)15-4-2-1-3-5-15;/h1-7,12,16,19H,8-11,13,23H2;1H.
What are the key properties of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride?
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride has a molecular weight of 429.78 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride is sourced from PubChem (CID 119339060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).