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

C19H19Cl2NO2 — CID 46028796

IUPAC(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC(OCc2cccc(Cl)c2)C1
InChIInChI=1S/C19H19Cl2NO2/c20-16-6-1-4-14(10-16)13-24-18-8-3-9-22(12-18)19(23)15-5-2-7-17(21)11-15/h1-2,4-7,10-11,18H,3,8-9,12-13H2
InChIKeySUKLRTCAEBYJIE-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.81
Rot. Bonds4

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

(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 46028796) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
PubChem CID46028796
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC(OCc2cccc(Cl)c2)C1
InChIInChI=1S/C19H19Cl2NO2/c20-16-6-1-4-14(10-16)13-24-18-8-3-9-22(12-18)19(23)15-5-2-7-17(21)11-15/h1-2,4-7,10-11,18H,3,8-9,12-13H2
InChIKeySUKLRTCAEBYJIE-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

(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223391
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783
(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
(3-chlorophenyl)-[(3S)-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223760
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
(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
[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone
CID 93223584
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223787
(3-bromophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223609
[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 46028899
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone (CID 46028796) is (3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCCC(OCc2cccc(Cl)c2)C1.
What is the InChIKey of (3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is SUKLRTCAEBYJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c20-16-6-1-4-14(10-16)13-24-18-8-3-9-22(12-18)19(23)15-5-2-7-17(21)11-15/h1-2,4-7,10-11,18H,3,8-9,12-13H2.
What are the key properties of (3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone?
(3-chlorophenyl)-[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 (3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 46028796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).