(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone

C19H19Cl2NO2 — CID 93223391

IUPAC(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC[C@@H](OCc2cccc(Cl)c2)C1
InChIInChI=1S/C19H19Cl2NO2/c20-15-6-3-5-14(11-15)13-24-16-7-4-10-22(12-16)19(23)17-8-1-2-9-18(17)21/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2/t16-/m1/s1
InChIKeyXJRSRMCFQOFMEL-MRXNPFEDSA-N
MW364.27 g/mol
LogP4.81
Rot. Bonds4

About (2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone

(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 93223391) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is (2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
PubChem CID93223391
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC[C@@H](OCc2cccc(Cl)c2)C1
InChIInChI=1S/C19H19Cl2NO2/c20-15-6-3-5-14(11-15)13-24-16-7-4-10-22(12-16)19(23)17-8-1-2-9-18(17)21/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2/t16-/m1/s1
InChIKeyXJRSRMCFQOFMEL-MRXNPFEDSA-N
XLogP4.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223338
(2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223601
(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844152
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223653
(3R)-N-(3-chlorophenyl)-3-[(3-fluorophenyl)methoxy]piperidine-1-carboxamide
CID 93224006
(3-chlorophenyl)-[(3S)-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223760
(2-amino-3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 115540541
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223787

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone (CID 93223391) is (2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCC[C@@H](OCc2cccc(Cl)c2)C1.
What is the InChIKey of (2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is XJRSRMCFQOFMEL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c20-15-6-3-5-14(11-15)13-24-16-7-4-10-22(12-16)19(23)17-8-1-2-9-18(17)21/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2/t16-/m1/s1.
What are the key properties of (2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone?
(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone has a molecular weight of 364.27 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 93223391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).