1,3-dimethylpiperidin-4-amine;dihydrochloride

C7H18Cl2N2 — CID 53407082

IUPAC1,3-dimethylpiperidin-4-amine;dihydrochloride
SMILESCC1CN(C)CCC1N.Cl.Cl
InChIInChI=1S/C7H16N2.2ClH/c1-6-5-9(2)4-3-7(6)8;;/h6-7H,3-5,8H2,1-2H3;2*1H
InChIKeyYPGNKRYLHNGLKX-UHFFFAOYSA-N
MW201.14 g/mol
LogP1.13
Rot. Bonds

About 1,3-dimethylpiperidin-4-amine;dihydrochloride

1,3-dimethylpiperidin-4-amine;dihydrochloride (PubChem CID 53407082) has the molecular formula C7H18Cl2N2 and a molecular weight of 201.14 g/mol. Its IUPAC name is 1,3-dimethylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1,3-dimethylpiperidin-4-amine;dihydrochloride
PubChem CID53407082
Molecular FormulaC7H18Cl2N2
Molecular Weight201.14 g/mol
Exact Mass200.08
IUPAC Name1,3-dimethylpiperidin-4-amine;dihydrochloride
SMILESCC1CN(C)CCC1N.Cl.Cl
InChIInChI=1S/C7H16N2.2ClH/c1-6-5-9(2)4-3-7(6)8;;/h6-7H,3-5,8H2,1-2H3;2*1H
InChIKeyYPGNKRYLHNGLKX-UHFFFAOYSA-N
XLogP1.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-1,3-dimethylpiperidin-4-amine
CID 98186941
1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen
CID 176946053
(4R)-1-methylpiperidine-3,4-diamine
CID 145189555
1,4-dimethylpiperidin-3-amine;ethane
CID 169133952
(1,3-dimethylpiperidin-4-yl)methanamine
CID 55285263
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
1,3,4-trimethylpiperidine
CID 14454423
(4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
CID 79867793
ethane;1,3,4-trimethylpiperidine
CID 142222872
1-hydroxy-3-methylpiperidin-4-amine
CID 70254159
(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
CID 145443394
1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
CID 71757060

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperidin-4-amine;dihydrochloride?
The IUPAC name of 1,3-dimethylpiperidin-4-amine;dihydrochloride (CID 53407082) is 1,3-dimethylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1,3-dimethylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for 1,3-dimethylpiperidin-4-amine;dihydrochloride is CC1CN(C)CCC1N.Cl.Cl.
What is the InChIKey of 1,3-dimethylpiperidin-4-amine;dihydrochloride?
The InChIKey is YPGNKRYLHNGLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.2ClH/c1-6-5-9(2)4-3-7(6)8;;/h6-7H,3-5,8H2,1-2H3;2*1H.
What are the key properties of 1,3-dimethylpiperidin-4-amine;dihydrochloride?
1,3-dimethylpiperidin-4-amine;dihydrochloride has a molecular weight of 201.14 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 53407082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).