[4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone

C20H21Cl2NO2 — CID 2942148

IUPAC[4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)C1
InChIInChI=1S/C20H21Cl2NO2/c1-14-3-2-10-23(12-14)20(24)16-6-4-15(5-7-16)13-25-19-9-8-17(21)11-18(19)22/h4-9,11,14H,2-3,10,12-13H2,1H3
InChIKeyFPWUNRHULGHBOE-UHFFFAOYSA-N
MW378.30 g/mol
LogP5.44
Rot. Bonds4

About [4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone

[4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 2942148) has the molecular formula C20H21Cl2NO2 and a molecular weight of 378.30 g/mol. Its IUPAC name is [4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID2942148
Molecular FormulaC20H21Cl2NO2
Molecular Weight378.30 g/mol
Exact Mass377.09
IUPAC Name[4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)C1
InChIInChI=1S/C20H21Cl2NO2/c1-14-3-2-10-23(12-14)20(24)16-6-4-15(5-7-16)13-25-19-9-8-17(21)11-18(19)22/h4-9,11,14H,2-3,10,12-13H2,1H3
InChIKeyFPWUNRHULGHBOE-UHFFFAOYSA-N
XLogP5.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.30
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide
CID 23725878
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
2-(4-chlorophenyl)-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 45128141
2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 4252748
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 35323177
azepan-1-yl-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]methanone
CID 55407568
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048988
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanone;hydrochloride
CID 119486917
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone (CID 2942148) is [4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)C1.
What is the InChIKey of [4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is FPWUNRHULGHBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO2/c1-14-3-2-10-23(12-14)20(24)16-6-4-15(5-7-16)13-25-19-9-8-17(21)11-18(19)22/h4-9,11,14H,2-3,10,12-13H2,1H3.
What are the key properties of [4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
[4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 378.30 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 2942148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).