1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine

C13H24N4 — CID 107165436

IUPAC1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cncn1CC1(C)CCN(C)CC1
InChIInChI=1S/C13H24N4/c1-13(4-6-16(3)7-5-13)10-17-11-15-9-12(17)8-14-2/h9,11,14H,4-8,10H2,1-3H3
InChIKeyRXSYOPYLNIWBGM-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.33
Rot. Bonds4

About 1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine

1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine (PubChem CID 107165436) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine
PubChem CID107165436
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cncn1CC1(C)CCN(C)CC1
InChIInChI=1S/C13H24N4/c1-13(4-6-16(3)7-5-13)10-17-11-15-9-12(17)8-14-2/h9,11,14H,4-8,10H2,1-3H3
InChIKeyRXSYOPYLNIWBGM-UHFFFAOYSA-N
XLogP1.33
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine (CID 107165436) is 1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine is CNCc1cncn1CC1(C)CCN(C)CC1.
What is the InChIKey of 1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine?
The InChIKey is RXSYOPYLNIWBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-13(4-6-16(3)7-5-13)10-17-11-15-9-12(17)8-14-2/h9,11,14H,4-8,10H2,1-3H3.
What are the key properties of 1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine?
1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 107165436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).