(3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride

C7H18Cl2N2 — CID 67295221

IUPAC(3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride
SMILESCN[C@H]1CNCC[C@H]1C.Cl.Cl
InChIInChI=1S/C7H16N2.2ClH/c1-6-3-4-9-5-7(6)8-2;;/h6-9H,3-5H2,1-2H3;2*1H/t6-,7+;;/m1../s1
InChIKeyBGWDWHDPGXWNAX-VJBFUYBPSA-N
MW201.14 g/mol
LogP1.05
Rot. Bonds1

About (3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride

(3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride (PubChem CID 67295221) has the molecular formula C7H18Cl2N2 and a molecular weight of 201.14 g/mol. Its IUPAC name is (3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride
PubChem CID67295221
Molecular FormulaC7H18Cl2N2
Molecular Weight201.14 g/mol
Exact Mass200.08
IUPAC Name(3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride
SMILESCN[C@H]1CNCC[C@H]1C.Cl.Cl
InChIInChI=1S/C7H16N2.2ClH/c1-6-3-4-9-5-7(6)8-2;;/h6-9H,3-5H2,1-2H3;2*1H/t6-,7+;;/m1../s1
InChIKeyBGWDWHDPGXWNAX-VJBFUYBPSA-N
XLogP1.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride?
The IUPAC name of (3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride (CID 67295221) is (3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride.
What is the SMILES notation for (3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride?
The canonical SMILES for (3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride is CN[C@H]1CNCC[C@H]1C.Cl.Cl.
What is the InChIKey of (3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride?
The InChIKey is BGWDWHDPGXWNAX-VJBFUYBPSA-N. The full InChI is InChI=1S/C7H16N2.2ClH/c1-6-3-4-9-5-7(6)8-2;;/h6-9H,3-5H2,1-2H3;2*1H/t6-,7+;;/m1../s1.
What are the key properties of (3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride?
(3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride has a molecular weight of 201.14 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride is sourced from PubChem (CID 67295221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).