(2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one

C17H24Cl2N2O4 — CID 167323382

IUPAC(2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one
SMILESCNC(c1cc(Cl)c(Cl)cc1OC)C1CCN(C(=O)[C@H](O)CO)CC1
InChIInChI=1S/C17H24Cl2N2O4/c1-20-16(11-7-12(18)13(19)8-15(11)25-2)10-3-5-21(6-4-10)17(24)14(23)9-22/h7-8,10,14,16,20,22-23H,3-6,9H2,1-2H3/t14-,16?/m1/s1
InChIKeyMAKGKPKIAQWXBJ-IURRXHLWSA-N
MW391.30 g/mol
LogP1.85
Rot. Bonds6

About (2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one

(2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one (PubChem CID 167323382) has the molecular formula C17H24Cl2N2O4 and a molecular weight of 391.30 g/mol. Its IUPAC name is (2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one
PubChem CID167323382
Molecular FormulaC17H24Cl2N2O4
Molecular Weight391.30 g/mol
Exact Mass390.11
IUPAC Name(2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one
SMILESCNC(c1cc(Cl)c(Cl)cc1OC)C1CCN(C(=O)[C@H](O)CO)CC1
InChIInChI=1S/C17H24Cl2N2O4/c1-20-16(11-7-12(18)13(19)8-15(11)25-2)10-3-5-21(6-4-10)17(24)14(23)9-22/h7-8,10,14,16,20,22-23H,3-6,9H2,1-2H3/t14-,16?/m1/s1
InChIKeyMAKGKPKIAQWXBJ-IURRXHLWSA-N
XLogP1.85
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one with MolForge

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Related Compounds

1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 115966082
(2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 58959887
2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid
CID 82482100
tert-butyl N-[(2R)-1-[4-[(tert-butylsulfinylamino)-(4,5-dichloro-2-prop-2-enoxyphenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 156723145
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145
1-[4-(methylamino)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 119563145
N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424834
1-[4-[2-(4,5-dichloro-2-methoxyanilino)acetyl]piperazin-1-yl]-3-sulfanylpropan-1-one
CID 71819730
(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 78768166
2-(4-chloro-3-methylphenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 111434137
1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
CID 55125015
1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 99833156

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one?
The IUPAC name of (2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one (CID 167323382) is (2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one.
What is the SMILES notation for (2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one?
The canonical SMILES for (2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one is CNC(c1cc(Cl)c(Cl)cc1OC)C1CCN(C(=O)[C@H](O)CO)CC1.
What is the InChIKey of (2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one?
The InChIKey is MAKGKPKIAQWXBJ-IURRXHLWSA-N. The full InChI is InChI=1S/C17H24Cl2N2O4/c1-20-16(11-7-12(18)13(19)8-15(11)25-2)10-3-5-21(6-4-10)17(24)14(23)9-22/h7-8,10,14,16,20,22-23H,3-6,9H2,1-2H3/t14-,16?/m1/s1.
What are the key properties of (2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one?
(2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one has a molecular weight of 391.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(4,5-dichloro-2-methoxyphenyl)-(methylamino)methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one is sourced from PubChem (CID 167323382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).