1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine

C27H70N6O — CID 160693436

IUPAC1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine
SMILESC.C.C.C.C.CC1CC(N)CN(C)C1.CNC1CC(C)CN(C)C1.CNC1CC(O)CN(C)C1
InChIInChI=1S/C8H18N2.C7H16N2O.C7H16N2.5CH4/c1-7-4-8(9-2)6-10(3)5-7;1-8-6-3-7(10)5-9(2)4-6;1-6-3-7(8)5-9(2)4-6;;;;;/h7-9H,4-6H2,1-3H3;6-8,10H,3-5H2,1-2H3;6-7H,3-5,8H2,1-2H3;5*1H4
InChIKeyRPRXCVIYXZFWEI-UHFFFAOYSA-N
MW494.90 g/mol
LogP3.28
Rot. Bonds2

About 1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine

1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine (PubChem CID 160693436) has the molecular formula C27H70N6O and a molecular weight of 494.90 g/mol. Its IUPAC name is 1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine.

Molecular Properties

Compound Name1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine
PubChem CID160693436
Molecular FormulaC27H70N6O
Molecular Weight494.90 g/mol
Exact Mass494.56
IUPAC Name1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine
SMILESC.C.C.C.C.CC1CC(N)CN(C)C1.CNC1CC(C)CN(C)C1.CNC1CC(O)CN(C)C1
InChIInChI=1S/C8H18N2.C7H16N2O.C7H16N2.5CH4/c1-7-4-8(9-2)6-10(3)5-7;1-8-6-3-7(10)5-9(2)4-6;1-6-3-7(8)5-9(2)4-6;;;;;/h7-9H,4-6H2,1-3H3;6-8,10H,3-5H2,1-2H3;6-7H,3-5,8H2,1-2H3;5*1H4
InChIKeyRPRXCVIYXZFWEI-UHFFFAOYSA-N
XLogP3.28
TPSA80.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.90
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine?
The IUPAC name of 1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine (CID 160693436) is 1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine.
What is the SMILES notation for 1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine?
The canonical SMILES for 1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine is C.C.C.C.C.CC1CC(N)CN(C)C1.CNC1CC(C)CN(C)C1.CNC1CC(O)CN(C)C1.
What is the InChIKey of 1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine?
The InChIKey is RPRXCVIYXZFWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C7H16N2O.C7H16N2.5CH4/c1-7-4-8(9-2)6-10(3)5-7;1-8-6-3-7(10)5-9(2)4-6;1-6-3-7(8)5-9(2)4-6;;;;;/h7-9H,4-6H2,1-3H3;6-8,10H,3-5H2,1-2H3;6-7H,3-5,8H2,1-2H3;5*1H4.
What are the key properties of 1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine?
1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine has a molecular weight of 494.90 g/mol, XLogP of 3.28, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpiperidin-3-amine;methane;1-methyl-5-(methylamino)piperidin-3-ol;N,1,5-trimethylpiperidin-3-amine is sourced from PubChem (CID 160693436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).