(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone

C19H18Cl2FNO2 — CID 42844152

IUPAC(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC(OCc2cccc(F)c2)C1
InChIInChI=1S/C19H18Cl2FNO2/c20-17-7-6-14(10-18(17)21)19(24)23-8-2-5-16(11-23)25-12-13-3-1-4-15(22)9-13/h1,3-4,6-7,9-10,16H,2,5,8,11-12H2
InChIKeyKAQKITFSNNQHKX-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.95
Rot. Bonds4

About (3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 42844152) has the molecular formula C19H18Cl2FNO2 and a molecular weight of 382.26 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
PubChem CID42844152
Molecular FormulaC19H18Cl2FNO2
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC Name(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC(OCc2cccc(F)c2)C1
InChIInChI=1S/C19H18Cl2FNO2/c20-17-7-6-14(10-18(17)21)19(24)23-8-2-5-16(11-23)25-12-13-3-1-4-15(22)9-13/h1,3-4,6-7,9-10,16H,2,5,8,11-12H2
InChIKeyKAQKITFSNNQHKX-UHFFFAOYSA-N
XLogP4.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 42844155
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
(3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 46029085
(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
2-(4-chlorophenoxy)-1-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42844150
(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028680
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783
(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223391
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223787
[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46028989

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone (CID 42844152) is (3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(OCc2cccc(F)c2)C1.
What is the InChIKey of (3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is KAQKITFSNNQHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FNO2/c20-17-7-6-14(10-18(17)21)19(24)23-8-2-5-16(11-23)25-12-13-3-1-4-15(22)9-13/h1,3-4,6-7,9-10,16H,2,5,8,11-12H2.
What are the key properties of (3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone has a molecular weight of 382.26 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 42844152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).