1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile

C14H16Cl2N2O — CID 39420280

IUPAC1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(CCOc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H16Cl2N2O/c15-13-2-1-12(9-14(13)16)19-8-7-18-5-3-11(10-17)4-6-18/h1-2,9,11H,3-8H2
InChIKeyMRQGYBVUKGIURG-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.61
Rot. Bonds4

About 1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile

1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile (PubChem CID 39420280) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile
PubChem CID39420280
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(CCOc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H16Cl2N2O/c15-13-2-1-12(9-14(13)16)19-8-7-18-5-3-11(10-17)4-6-18/h1-2,9,11H,3-8H2
InChIKeyMRQGYBVUKGIURG-UHFFFAOYSA-N
XLogP3.61
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359835
1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile
CID 39373253
1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39364417
1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39382567
1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine
CID 2581947
1-[2-(2,4-dimethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359832
4-[2-(3,4-dichlorophenoxy)ethyl]-1-(5-piperidin-1-ylpentyl)piperidine
CID 57295773
1-[2-[2-bromo-5-(trifluoromethoxy)phenoxy]ethyl]piperidine-4-carbonitrile
CID 171115466
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359827
1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine
CID 973456

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile (CID 39420280) is 1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile is N#CC1CCN(CCOc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile?
The InChIKey is MRQGYBVUKGIURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c15-13-2-1-12(9-14(13)16)19-8-7-18-5-3-11(10-17)4-6-18/h1-2,9,11H,3-8H2.
What are the key properties of 1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile?
1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile has a molecular weight of 299.20 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile is sourced from PubChem (CID 39420280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).