2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one

C18H26Cl2N2O2 — CID 119810716

IUPAC2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2N2O2/c1-3-12(2)17(21)18(23)22-8-6-14(7-9-22)24-11-13-4-5-15(19)16(20)10-13/h4-5,10,12,14,17H,3,6-9,11,21H2,1-2H3
InChIKeyAPSWOMWSDJPQCL-UHFFFAOYSA-N
MW373.32 g/mol
LogP3.87
Rot. Bonds6

About 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one

2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one (PubChem CID 119810716) has the molecular formula C18H26Cl2N2O2 and a molecular weight of 373.32 g/mol. Its IUPAC name is 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one
PubChem CID119810716
Molecular FormulaC18H26Cl2N2O2
Molecular Weight373.32 g/mol
Exact Mass372.14
IUPAC Name2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2N2O2/c1-3-12(2)17(21)18(23)22-8-6-14(7-9-22)24-11-13-4-5-15(19)16(20)10-13/h4-5,10,12,14,17H,3,6-9,11,21H2,1-2H3
InChIKeyAPSWOMWSDJPQCL-UHFFFAOYSA-N
XLogP3.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
CID 119339061
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119339060
(2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one
CID 86784519
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-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride
CID 119810709
[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637219
(2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 67299766
2-amino-3-methyl-1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pentan-1-one
CID 119734570
4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid
CID 122022190
2-amino-3-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one;hydrochloride
CID 119780029

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one?
The IUPAC name of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one (CID 119810716) is 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one is CCC(C)C(N)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one?
The InChIKey is APSWOMWSDJPQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O2/c1-3-12(2)17(21)18(23)22-8-6-14(7-9-22)24-11-13-4-5-15(19)16(20)10-13/h4-5,10,12,14,17H,3,6-9,11,21H2,1-2H3.
What are the key properties of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one?
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one has a molecular weight of 373.32 g/mol, XLogP of 3.87, 6 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]-3-methylpentan-1-one is sourced from PubChem (CID 119810716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).