1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine

C16H24ClNO — CID 2263039

IUPAC1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine
SMILESCc1cc(C)c(OCCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-13-11-14(2)16(15(17)12-13)19-10-6-9-18-7-4-3-5-8-18/h11-12H,3-10H2,1-2H3
InChIKeyJDFNADMCROMQKK-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.21
Rot. Bonds5

About 1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine

1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine (PubChem CID 2263039) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine
PubChem CID2263039
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine
SMILESCc1cc(C)c(OCCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-13-11-14(2)16(15(17)12-13)19-10-6-9-18-7-4-3-5-8-18/h11-12H,3-10H2,1-2H3
InChIKeyJDFNADMCROMQKK-UHFFFAOYSA-N
XLogP4.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]pyrrolidine
CID 2299454
4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine
CID 869403
(3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine
CID 887574
1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
CID 2057820
3,5-dimethyl-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonyl chloride
CID 82911681
1-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]-4-ethylpiperazine
CID 2961137
1-(4-butoxy-3-chloro-5-methylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 3041910
1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
CID 5336537
3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
CID 106891018
1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine
CID 2195012
4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine
CID 2299958
1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine
CID 2299248

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine?
The IUPAC name of 1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine (CID 2263039) is 1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine?
The canonical SMILES for 1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine is Cc1cc(C)c(OCCCN2CCCCC2)c(Cl)c1.
What is the InChIKey of 1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine?
The InChIKey is JDFNADMCROMQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-13-11-14(2)16(15(17)12-13)19-10-6-9-18-7-4-3-5-8-18/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine?
1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine has a molecular weight of 281.83 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine is sourced from PubChem (CID 2263039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).