(1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride

C8H20Cl2N2 — CID 75420770

IUPAC(1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride
SMILESCN1CCCC(C)(CN)C1.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-8(6-9)4-3-5-10(2)7-8;;/h3-7,9H2,1-2H3;2*1H
InChIKeyVDUYQRHNMLUMGA-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.52
Rot. Bonds1

About (1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride

(1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride (PubChem CID 75420770) has the molecular formula C8H20Cl2N2 and a molecular weight of 215.17 g/mol. Its IUPAC name is (1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride
PubChem CID75420770
Molecular FormulaC8H20Cl2N2
Molecular Weight215.17 g/mol
Exact Mass214.10
IUPAC Name(1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride
SMILESCN1CCCC(C)(CN)C1.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-8(6-9)4-3-5-10(2)7-8;;/h3-7,9H2,1-2H3;2*1H
InChIKeyVDUYQRHNMLUMGA-UHFFFAOYSA-N
XLogP1.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride?
The IUPAC name of (1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride (CID 75420770) is (1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride.
What is the SMILES notation for (1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride?
The canonical SMILES for (1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride is CN1CCCC(C)(CN)C1.Cl.Cl.
What is the InChIKey of (1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride?
The InChIKey is VDUYQRHNMLUMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.2ClH/c1-8(6-9)4-3-5-10(2)7-8;;/h3-7,9H2,1-2H3;2*1H.
What are the key properties of (1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride?
(1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride has a molecular weight of 215.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpiperidin-3-yl)methanamine;dihydrochloride is sourced from PubChem (CID 75420770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).