(2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone

C20H21F2NO2 — CID 70718855

IUPAC(2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3ccccc3C)C2)c(F)c1F
InChIInChI=1S/C20H21F2NO2/c1-13-6-3-4-8-15(13)14-7-5-11-23(12-14)20(24)16-9-10-17(25-2)19(22)18(16)21/h3-4,6,8-10,14H,5,7,11-12H2,1-2H3
InChIKeyOJVDSDRBSUFEOH-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.30
Rot. Bonds3

About (2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone

(2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone (PubChem CID 70718855) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is (2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone
PubChem CID70718855
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name(2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3ccccc3C)C2)c(F)c1F
InChIInChI=1S/C20H21F2NO2/c1-13-6-3-4-8-15(13)14-7-5-11-23(12-14)20(24)16-9-10-17(25-2)19(22)18(16)21/h3-4,6,8-10,14H,5,7,11-12H2,1-2H3
InChIKeyOJVDSDRBSUFEOH-UHFFFAOYSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-({4-[2-(4-methoxyphenyl)ethynyl]phenyl}carbonyl)piperidin-3-yl]methanol
CID 56587994
2-(4-Methoxy-benzyl)-4H-isoquinoline-1,3-dione
CID 1475552
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-(4-methoxybenzyl)phthalimide
CID 519849
4-methoxy-N-(2-oxo-2-phenylethyl)benzamide
CID 796649
4-(4-Methoxybenzoyl)morpholine
CID 82013
N-(4-methoxybenzyl)biphenyl-4-carboxamide
CID 710674
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058
N,N-Diethyl-para-anisamide
CID 231459
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
CID 14783871
(4-Methoxyphenyl)(4-phenylazepan-1-yl)methanone
CID 45269321
(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
CID 99794612

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone?
The IUPAC name of (2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone (CID 70718855) is (2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC(c3ccccc3C)C2)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone?
The InChIKey is OJVDSDRBSUFEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c1-13-6-3-4-8-15(13)14-7-5-11-23(12-14)20(24)16-9-10-17(25-2)19(22)18(16)21/h3-4,6,8-10,14H,5,7,11-12H2,1-2H3.
What are the key properties of (2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone?
(2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 345.39 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methoxyphenyl)-[3-(2-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70718855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).