2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone

C22H27ClN2O2 — CID 119645425

IUPAC2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
SMILESCCNCC1CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)CC1
InChIInChI=1S/C22H27ClN2O2/c1-2-24-15-17-10-12-25(13-11-17)22(26)16-27-21-9-8-19(14-20(21)23)18-6-4-3-5-7-18/h3-9,14,17,24H,2,10-13,15-16H2,1H3
InChIKeyDBKIODKGTCPCSC-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.23
Rot. Bonds7

About 2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone

2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 119645425) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
PubChem CID119645425
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
SMILESCCNCC1CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)CC1
InChIInChI=1S/C22H27ClN2O2/c1-2-24-15-17-10-12-25(13-11-17)22(26)16-27-21-9-8-19(14-20(21)23)18-6-4-3-5-7-18/h3-9,14,17,24H,2,10-13,15-16H2,1H3
InChIKeyDBKIODKGTCPCSC-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119178255
2-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119644105
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-chloro-4-phenylphenoxy)ethanone
CID 124611392
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119647507
2-(2-chloro-4-phenylphenoxy)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 17436000
2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119401188
3-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647198
2-(3,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119645223
4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119644834
methyl 1-[2-(2-chloro-4-phenylphenoxy)acetyl]pyrrolidine-2-carboxylate
CID 112809208
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide
CID 7653172

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone (CID 119645425) is 2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone is CCNCC1CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is DBKIODKGTCPCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-2-24-15-17-10-12-25(13-11-17)22(26)16-27-21-9-8-19(14-20(21)23)18-6-4-3-5-7-18/h3-9,14,17,24H,2,10-13,15-16H2,1H3.
What are the key properties of 2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 386.92 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 119645425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).