1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine

C15H28N4 — CID 119110237

IUPAC1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
SMILESCC1CC(C)CN(CC(C)NCc2cncn2C)C1
InChIInChI=1S/C15H28N4/c1-12-5-13(2)9-19(8-12)10-14(3)17-7-15-6-16-11-18(15)4/h6,11-14,17H,5,7-10H2,1-4H3
InChIKeySNTWXYCBXSGDAJ-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.88
Rot. Bonds5

About 1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine

1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine (PubChem CID 119110237) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
PubChem CID119110237
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
SMILESCC1CC(C)CN(CC(C)NCc2cncn2C)C1
InChIInChI=1S/C15H28N4/c1-12-5-13(2)9-19(8-12)10-14(3)17-7-15-6-16-11-18(15)4/h6,11-14,17H,5,7-10H2,1-4H3
InChIKeySNTWXYCBXSGDAJ-UHFFFAOYSA-N
XLogP1.88
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine (CID 119110237) is 1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine is CC1CC(C)CN(CC(C)NCc2cncn2C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine?
The InChIKey is SNTWXYCBXSGDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-12-5-13(2)9-19(8-12)10-14(3)17-7-15-6-16-11-18(15)4/h6,11-14,17H,5,7-10H2,1-4H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine?
1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine has a molecular weight of 264.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 119110237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).