[4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone

C21H24Cl2N2O2 — CID 166204898

IUPAC[4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone
SMILESCN(CCOc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24Cl2N2O2/c1-24(13-14-27-20-15-17(22)7-8-19(20)23)18-9-11-25(12-10-18)21(26)16-5-3-2-4-6-16/h2-8,15,18H,9-14H2,1H3
InChIKeyDSVOAMDPFGBRSQ-UHFFFAOYSA-N
MW407.34 g/mol
LogP4.61
Rot. Bonds6

About [4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone

[4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone (PubChem CID 166204898) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is [4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone
PubChem CID166204898
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name[4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone
SMILESCN(CCOc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24Cl2N2O2/c1-24(13-14-27-20-15-17(22)7-8-19(20)23)18-9-11-25(12-10-18)21(26)16-5-3-2-4-6-16/h2-8,15,18H,9-14H2,1H3
InChIKeyDSVOAMDPFGBRSQ-UHFFFAOYSA-N
XLogP4.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid
CID 102741133
[4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone
CID 166234702
[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 112814782
N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane
CID 144963079
1-[2-(2,5-dichlorophenoxy)acetyl]-N,N-dimethylpiperidine-4-carboxamide
CID 99165656
1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one
CID 59178266
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-fluorobenzoic acid
CID 102741131
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 24660712
2-[[1-[2-(2,5-dichlorophenoxy)acetyl]piperidin-4-yl]-ethylamino]acetic acid
CID 167766373
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone (CID 166204898) is [4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone is CN(CCOc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone?
The InChIKey is DSVOAMDPFGBRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-24(13-14-27-20-15-17(22)7-8-19(20)23)18-9-11-25(12-10-18)21(26)16-5-3-2-4-6-16/h2-8,15,18H,9-14H2,1H3.
What are the key properties of [4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone?
[4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone has a molecular weight of 407.34 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 166204898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).