4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine

C12H27N3O — CID 106675790

IUPAC4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NN1CCCCC1
InChIInChI=1S/C12H27N3O/c1-12(2,16-3)9-11(10-13)14-15-7-5-4-6-8-15/h11,14H,4-10,13H2,1-3H3
InChIKeyDZMHFDNZIJUUBN-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.12
Rot. Bonds6

About 4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine

4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine (PubChem CID 106675790) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine
PubChem CID106675790
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NN1CCCCC1
InChIInChI=1S/C12H27N3O/c1-12(2,16-3)9-11(10-13)14-15-7-5-4-6-8-15/h11,14H,4-10,13H2,1-3H3
InChIKeyDZMHFDNZIJUUBN-UHFFFAOYSA-N
XLogP1.12
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine?
The IUPAC name of 4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine (CID 106675790) is 4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine.
What is the SMILES notation for 4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine?
The canonical SMILES for 4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine is COC(C)(C)CC(CN)NN1CCCCC1.
What is the InChIKey of 4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine?
The InChIKey is DZMHFDNZIJUUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-12(2,16-3)9-11(10-13)14-15-7-5-4-6-8-15/h11,14H,4-10,13H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine?
4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine has a molecular weight of 229.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine is sourced from PubChem (CID 106675790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).