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

C12H26N2O — CID 104584715

IUPAC1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine
SMILESCC(C)OCCNC1CCN(C)CC1C
InChIInChI=1S/C12H26N2O/c1-10(2)15-8-6-13-12-5-7-14(4)9-11(12)3/h10-13H,5-9H2,1-4H3
InChIKeyPLBBXHNVOYGOPQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

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

1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine (PubChem CID 104584715) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine
PubChem CID104584715
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine
SMILESCC(C)OCCNC1CCN(C)CC1C
InChIInChI=1S/C12H26N2O/c1-10(2)15-8-6-13-12-5-7-14(4)9-11(12)3/h10-13H,5-9H2,1-4H3
InChIKeyPLBBXHNVOYGOPQ-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
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 1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine (CID 104584715) is 1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine is CC(C)OCCNC1CCN(C)CC1C.
What is the InChIKey of 1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine?
The InChIKey is PLBBXHNVOYGOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)15-8-6-13-12-5-7-14(4)9-11(12)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine?
1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine is sourced from PubChem (CID 104584715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).