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

C18H25Cl3N2O2 — CID 119810709

IUPAC2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CNCC1CC1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H24Cl2N2O2.ClH/c19-16-4-3-14(9-17(16)20)12-24-15-5-7-22(8-6-15)18(23)11-21-10-13-1-2-13;/h3-4,9,13,15,21H,1-2,5-8,10-12H2;1H
InChIKeyRUSLNZMJRIFMPB-UHFFFAOYSA-N
MW407.77 g/mol
LogP3.92
Rot. Bonds7

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

2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119810709) has the molecular formula C18H25Cl3N2O2 and a molecular weight of 407.77 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride
PubChem CID119810709
Molecular FormulaC18H25Cl3N2O2
Molecular Weight407.77 g/mol
Exact Mass406.10
IUPAC Name2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CNCC1CC1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H24Cl2N2O2.ClH/c19-16-4-3-14(9-17(16)20)12-24-15-5-7-22(8-6-15)18(23)11-21-10-13-1-2-13;/h3-4,9,13,15,21H,1-2,5-8,10-12H2;1H
InChIKeyRUSLNZMJRIFMPB-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride with MolForge

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Related Compounds

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
(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]-2-phenylethanone;hydrochloride
CID 119339060
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one
CID 119810716
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 119339061
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-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045
2-(4-chlorophenyl)-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119720794
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119562540
2-(cyclopropylmethylamino)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 119743037

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride (CID 119810709) is 2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride is Cl.O=C(CNCC1CC1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is RUSLNZMJRIFMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2.ClH/c19-16-4-3-14(9-17(16)20)12-24-15-5-7-22(8-6-15)18(23)11-21-10-13-1-2-13;/h3-4,9,13,15,21H,1-2,5-8,10-12H2;1H.
What are the key properties of 2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride?
2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 407.77 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119810709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).