2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one

C14H17Cl2NO2 — CID 112787311

IUPAC2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H17Cl2NO2/c1-10(14(18)17-7-3-2-4-8-17)19-11-5-6-12(15)13(16)9-11/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyQDFJCZZAULAMNZ-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.77
Rot. Bonds3

About 2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one

2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one (PubChem CID 112787311) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
PubChem CID112787311
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H17Cl2NO2/c1-10(14(18)17-7-3-2-4-8-17)19-11-5-6-12(15)13(16)9-11/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyQDFJCZZAULAMNZ-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 56570508
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,4-dichlorophenoxy)propan-1-one
CID 55792554
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide
CID 49050190
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
2-(4-chloro-3,5-dimethylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 2969657
2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112788400
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479851
2-(4-bromo-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 83133278
(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7916276

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one (CID 112787311) is 2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCCC1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one?
The InChIKey is QDFJCZZAULAMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-10(14(18)17-7-3-2-4-8-17)19-11-5-6-12(15)13(16)9-11/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one?
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one has a molecular weight of 302.20 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 112787311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).