1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine

C13H28N2O — CID 81302152

IUPAC1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine
SMILESCC(C)OCCCNC1CCN(C)C(C)C1
InChIInChI=1S/C13H28N2O/c1-11(2)16-9-5-7-14-13-6-8-15(4)12(3)10-13/h11-14H,5-10H2,1-4H3
InChIKeyGJGFFLYMULFCIK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.87
Rot. Bonds6

About 1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine

1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine (PubChem CID 81302152) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine
PubChem CID81302152
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine
SMILESCC(C)OCCCNC1CCN(C)C(C)C1
InChIInChI=1S/C13H28N2O/c1-11(2)16-9-5-7-14-13-6-8-15(4)12(3)10-13/h11-14H,5-10H2,1-4H3
InChIKeyGJGFFLYMULFCIK-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine?
The IUPAC name of 1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine (CID 81302152) is 1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine.
What is the SMILES notation for 1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine?
The canonical SMILES for 1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine is CC(C)OCCCNC1CCN(C)C(C)C1.
What is the InChIKey of 1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine?
The InChIKey is GJGFFLYMULFCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)16-9-5-7-14-13-6-8-15(4)12(3)10-13/h11-14H,5-10H2,1-4H3.
What are the key properties of 1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine?
1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine has a molecular weight of 228.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine is sourced from PubChem (CID 81302152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).