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

C19H19F2NO2 — CID 42844111

IUPAC(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C19H19F2NO2/c20-15-9-7-14(8-10-15)13-24-16-4-3-11-22(12-16)19(23)17-5-1-2-6-18(17)21/h1-2,5-10,16H,3-4,11-13H2
InChIKeyHUMBVUVVYHUAHJ-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.79
Rot. Bonds4

About (2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone

(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 42844111) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
PubChem CID42844111
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C19H19F2NO2/c20-15-9-7-14(8-10-15)13-24-16-4-3-11-22(12-16)19(23)17-5-1-2-6-18(17)21/h1-2,5-10,16H,3-4,11-13H2
InChIKeyHUMBVUVVYHUAHJ-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 42844185
(2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223601
[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-(furan-2-yl)methanone
CID 42844110
cyclopentyl-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46153645
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone
CID 46028831
1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 50804043
(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082445
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505160
[2-[(4-fluorophenyl)methoxy]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110878351
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone (CID 42844111) is (2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone is O=C(c1ccccc1F)N1CCCC(OCc2ccc(F)cc2)C1.
What is the InChIKey of (2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is HUMBVUVVYHUAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c20-15-9-7-14(8-10-15)13-24-16-4-3-11-22(12-16)19(23)17-5-1-2-6-18(17)21/h1-2,5-10,16H,3-4,11-13H2.
What are the key properties of (2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone?
(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone has a molecular weight of 331.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 42844111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).