(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone

C20H21Cl2NO2 — CID 93223338

IUPAC(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
SMILESCc1ccc(CO[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C20H21Cl2NO2/c1-14-4-6-15(7-5-14)13-25-17-3-2-10-23(12-17)20(24)18-9-8-16(21)11-19(18)22/h4-9,11,17H,2-3,10,12-13H2,1H3/t17-/m1/s1
InChIKeyWHUGWTQUZHLHDM-QGZVFWFLSA-N
MW378.30 g/mol
LogP5.12
Rot. Bonds4

About (2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone

(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 93223338) has the molecular formula C20H21Cl2NO2 and a molecular weight of 378.30 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
PubChem CID93223338
Molecular FormulaC20H21Cl2NO2
Molecular Weight378.30 g/mol
Exact Mass377.09
IUPAC Name(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
SMILESCc1ccc(CO[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C20H21Cl2NO2/c1-14-4-6-15(7-5-14)13-25-17-3-2-10-23(12-17)20(24)18-9-8-16(21)11-19(18)22/h4-9,11,17H,2-3,10,12-13H2,1H3/t17-/m1/s1
InChIKeyWHUGWTQUZHLHDM-QGZVFWFLSA-N
XLogP5.12
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 ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223391
3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one
CID 46028750
(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 96577943
(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 55083098
(4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone
CID 53008478
(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170144
methyl (3S)-1-(2,4-dichlorobenzoyl)piperidine-3-carboxylate
CID 78919345
(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93223987
(2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255743
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 7064237
(4-chlorophenyl)-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 46028668

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone (CID 93223338) is (2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone is Cc1ccc(CO[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3Cl)C2)cc1.
What is the InChIKey of (2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is WHUGWTQUZHLHDM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21Cl2NO2/c1-14-4-6-15(7-5-14)13-25-17-3-2-10-23(12-17)20(24)18-9-8-16(21)11-19(18)22/h4-9,11,17H,2-3,10,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone?
(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone has a molecular weight of 378.30 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 93223338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).