2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride

C15H24ClNO — CID 10801946

IUPAC2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride
SMILESCc1cccc(C)c1OCCC1CCCC[NH2+]1.[Cl-]
InChIInChI=1S/C15H23NO.ClH/c1-12-6-5-7-13(2)15(12)17-11-9-14-8-3-4-10-16-14;/h5-7,14,16H,3-4,8-11H2,1-2H3;1H
InChIKeyKDPMYYGNILDSBE-UHFFFAOYSA-N
MW269.82 g/mol
LogP-0.81
Rot. Bonds4

About 2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride

2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride (PubChem CID 10801946) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride.

Molecular Properties

Compound Name2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride
PubChem CID10801946
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride
SMILESCc1cccc(C)c1OCCC1CCCC[NH2+]1.[Cl-]
InChIInChI=1S/C15H23NO.ClH/c1-12-6-5-7-13(2)15(12)17-11-9-14-8-3-4-10-16-14;/h5-7,14,16H,3-4,8-11H2,1-2H3;1H
InChIKeyKDPMYYGNILDSBE-UHFFFAOYSA-N
XLogP-0.81
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 54841
CID 54841
CID 4178
CID 4178
CID 54840
CID 54840
CID 21467
CID 21467
CID 2377
CID 2377
CID 4117
CID 4117
CID 9859211
CID 9859211
CID 6850813
CID 6850813
CID 180621
CID 180621
CID 6917789
CID 6917789
CID 185376
CID 185376
CID 10591006
CID 10591006

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride?
The IUPAC name of 2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride (CID 10801946) is 2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride.
What is the SMILES notation for 2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride?
The canonical SMILES for 2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride is Cc1cccc(C)c1OCCC1CCCC[NH2+]1.[Cl-].
What is the InChIKey of 2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride?
The InChIKey is KDPMYYGNILDSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-12-6-5-7-13(2)15(12)17-11-9-14-8-3-4-10-16-14;/h5-7,14,16H,3-4,8-11H2,1-2H3;1H.
What are the key properties of 2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride?
2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride has a molecular weight of 269.82 g/mol, XLogP of -0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium chloride is sourced from PubChem (CID 10801946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).