(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone

C19H19Cl2NO2 — CID 55460870

IUPAC(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C19H19Cl2NO2/c20-17-8-4-7-16(18(17)21)19(23)22-11-9-15(10-12-22)24-13-14-5-2-1-3-6-14/h1-8,15H,9-13H2
InChIKeyAPFFXUBXXFZKFB-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.81
Rot. Bonds4

About (2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone

(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 55460870) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID55460870
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C19H19Cl2NO2/c20-17-8-4-7-16(18(17)21)19(23)22-11-9-15(10-12-22)24-13-14-5-2-1-3-6-14/h1-8,15H,9-13H2
InChIKeyAPFFXUBXXFZKFB-UHFFFAOYSA-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

[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 120660781
(5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 56807408
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460804
[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 51927556
[4-(2-chloroethoxy)piperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 82701310
N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 46417857
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile
CID 49064699

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone (CID 55460870) is (2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone is O=C(c1cccc(Cl)c1Cl)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of (2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is APFFXUBXXFZKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c20-17-8-4-7-16(18(17)21)19(23)22-11-9-15(10-12-22)24-13-14-5-2-1-3-6-14/h1-8,15H,9-13H2.
What are the key properties of (2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-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 (2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 55460870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).