(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine

C12H25N3 — CID 7219944

IUPAC(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine
SMILESCN1CCC(CN)(N2CCCCC2)CC1
InChIInChI=1S/C12H25N3/c1-14-9-5-12(11-13,6-10-14)15-7-3-2-4-8-15/h2-11,13H2,1H3
InChIKeyALKYOCFYYIHZIX-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.90
Rot. Bonds2

About (1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine

(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine (PubChem CID 7219944) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is (1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine
PubChem CID7219944
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine
SMILESCN1CCC(CN)(N2CCCCC2)CC1
InChIInChI=1S/C12H25N3/c1-14-9-5-12(11-13,6-10-14)15-7-3-2-4-8-15/h2-11,13H2,1H3
InChIKeyALKYOCFYYIHZIX-UHFFFAOYSA-N
XLogP0.90
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine?
The IUPAC name of (1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine (CID 7219944) is (1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine.
What is the SMILES notation for (1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine?
The canonical SMILES for (1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine is CN1CCC(CN)(N2CCCCC2)CC1.
What is the InChIKey of (1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine?
The InChIKey is ALKYOCFYYIHZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14-9-5-12(11-13,6-10-14)15-7-3-2-4-8-15/h2-11,13H2,1H3.
What are the key properties of (1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine?
(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine has a molecular weight of 211.35 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine is sourced from PubChem (CID 7219944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).