1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine

C17H28N2O — CID 81333951

IUPAC1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
SMILESCc1ccc(OCC(C)NC2CCN(C)C(C)C2)cc1
InChIInChI=1S/C17H28N2O/c1-13-5-7-17(8-6-13)20-12-14(2)18-16-9-10-19(4)15(3)11-16/h5-8,14-16,18H,9-12H2,1-4H3
InChIKeyAZMNDFAWWOPOCU-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.83
Rot. Bonds5

About 1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine

1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine (PubChem CID 81333951) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
PubChem CID81333951
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
SMILESCc1ccc(OCC(C)NC2CCN(C)C(C)C2)cc1
InChIInChI=1S/C17H28N2O/c1-13-5-7-17(8-6-13)20-12-14(2)18-16-9-10-19(4)15(3)11-16/h5-8,14-16,18H,9-12H2,1-4H3
InChIKeyAZMNDFAWWOPOCU-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 61168104
N-[1-(4-methylphenoxy)propan-2-yl]cyclopentanamine
CID 61168103
4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol
CID 106594454
1,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 81302365
N-heptan-2-yl-1,2-dimethylpiperidin-4-amine
CID 81301499
2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol
CID 61166947
1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 51096030
1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 132649936
(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99970521
4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol
CID 61166948
N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79690675
1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine
CID 81334394

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine?
The IUPAC name of 1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine (CID 81333951) is 1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine?
The canonical SMILES for 1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine is Cc1ccc(OCC(C)NC2CCN(C)C(C)C2)cc1.
What is the InChIKey of 1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine?
The InChIKey is AZMNDFAWWOPOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-5-7-17(8-6-13)20-12-14(2)18-16-9-10-19(4)15(3)11-16/h5-8,14-16,18H,9-12H2,1-4H3.
What are the key properties of 1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine?
1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine is sourced from PubChem (CID 81333951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).