1-methylpiperidin-4-amine;oxan-4-ylmethanamine

C12H27N3O — CID 158856884

IUPAC1-methylpiperidin-4-amine;oxan-4-ylmethanamine
SMILESCN1CCC(N)CC1.NCC1CCOCC1
InChIInChI=1S/C6H14N2.C6H13NO/c1-8-4-2-6(7)3-5-8;7-5-6-1-3-8-4-2-6/h6H,2-5,7H2,1H3;6H,1-5,7H2
InChIKeyJADZGKVEFRBPKC-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.41
Rot. Bonds1

About 1-methylpiperidin-4-amine;oxan-4-ylmethanamine

1-methylpiperidin-4-amine;oxan-4-ylmethanamine (PubChem CID 158856884) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-methylpiperidin-4-amine;oxan-4-ylmethanamine.

Molecular Properties

Compound Name1-methylpiperidin-4-amine;oxan-4-ylmethanamine
PubChem CID158856884
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name1-methylpiperidin-4-amine;oxan-4-ylmethanamine
SMILESCN1CCC(N)CC1.NCC1CCOCC1
InChIInChI=1S/C6H14N2.C6H13NO/c1-8-4-2-6(7)3-5-8;7-5-6-1-3-8-4-2-6/h6H,2-5,7H2,1H3;6H,1-5,7H2
InChIKeyJADZGKVEFRBPKC-UHFFFAOYSA-N
XLogP0.41
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-4-amine;oxan-4-ylmethanamine?
The IUPAC name of 1-methylpiperidin-4-amine;oxan-4-ylmethanamine (CID 158856884) is 1-methylpiperidin-4-amine;oxan-4-ylmethanamine.
What is the SMILES notation for 1-methylpiperidin-4-amine;oxan-4-ylmethanamine?
The canonical SMILES for 1-methylpiperidin-4-amine;oxan-4-ylmethanamine is CN1CCC(N)CC1.NCC1CCOCC1.
What is the InChIKey of 1-methylpiperidin-4-amine;oxan-4-ylmethanamine?
The InChIKey is JADZGKVEFRBPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H13NO/c1-8-4-2-6(7)3-5-8;7-5-6-1-3-8-4-2-6/h6H,2-5,7H2,1H3;6H,1-5,7H2.
What are the key properties of 1-methylpiperidin-4-amine;oxan-4-ylmethanamine?
1-methylpiperidin-4-amine;oxan-4-ylmethanamine has a molecular weight of 229.37 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-4-amine;oxan-4-ylmethanamine is sourced from PubChem (CID 158856884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).