1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride

C15H25ClN2O — CID 120965850

IUPAC1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride
SMILESCc1cccc(C)c1OCCN1CCC(N)CC1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-12-4-3-5-13(2)15(12)18-11-10-17-8-6-14(16)7-9-17;/h3-5,14H,6-11,16H2,1-2H3;1H
InChIKeyHWRHTKFDIDHBDA-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.53
Rot. Bonds4

About 1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride

1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride (PubChem CID 120965850) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride
PubChem CID120965850
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride
SMILESCc1cccc(C)c1OCCN1CCC(N)CC1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-12-4-3-5-13(2)15(12)18-11-10-17-8-6-14(16)7-9-17;/h3-5,14H,6-11,16H2,1-2H3;1H
InChIKeyHWRHTKFDIDHBDA-UHFFFAOYSA-N
XLogP2.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 120966169
1-[3-(2,6-dimethylphenoxy)propyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907743
1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine
CID 11278783
1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride
CID 119376715
1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-amine
CID 28802683
[1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442606
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
(3aR,6aS)-5-[2-(2,6-dimethylphenoxy)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120967173
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722
[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 112612262
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine
CID 56554923

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride (CID 120965850) is 1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride is Cc1cccc(C)c1OCCN1CCC(N)CC1.Cl.
What is the InChIKey of 1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride?
The InChIKey is HWRHTKFDIDHBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-12-4-3-5-13(2)15(12)18-11-10-17-8-6-14(16)7-9-17;/h3-5,14H,6-11,16H2,1-2H3;1H.
What are the key properties of 1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride?
1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120965850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).