[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone

C20H21Cl2NO2 — CID 8815161

IUPAC[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)CC1
InChIInChI=1S/C20H21Cl2NO2/c1-14-7-9-23(10-8-14)20(24)16-3-2-4-17(12-16)25-13-15-5-6-18(21)19(22)11-15/h2-6,11-12,14H,7-10,13H2,1H3
InChIKeyDGEUOLXZHHTXRK-UHFFFAOYSA-N
MW378.30 g/mol
LogP5.44
Rot. Bonds4

About [3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone

[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 8815161) has the molecular formula C20H21Cl2NO2 and a molecular weight of 378.30 g/mol. Its IUPAC name is [3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID8815161
Molecular FormulaC20H21Cl2NO2
Molecular Weight378.30 g/mol
Exact Mass377.09
IUPAC Name[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)CC1
InChIInChI=1S/C20H21Cl2NO2/c1-14-7-9-23(10-8-14)20(24)16-3-2-4-17(12-16)25-13-15-5-6-18(21)19(22)11-15/h2-6,11-12,14H,7-10,13H2,1H3
InChIKeyDGEUOLXZHHTXRK-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

[3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8815293
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 8815270
(4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993266
[3-[(4-chlorophenyl)methoxy]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647252
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
4-[[3-(3-methylpyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile
CID 86957431
[3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576539
cyclopropyl-[4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone
CID 50906466
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
3-[(3,4-dichlorophenyl)methoxy]-N-ethylbenzamide
CID 8814822
[3-[(3-chlorophenyl)methoxy]phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119621851
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826640

Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 8815161) is [3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)CC1.
What is the InChIKey of [3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is DGEUOLXZHHTXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO2/c1-14-7-9-23(10-8-14)20(24)16-3-2-4-17(12-16)25-13-15-5-6-18(21)19(22)11-15/h2-6,11-12,14H,7-10,13H2,1H3.
What are the key properties of [3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-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 [3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 8815161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).