N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine

C12H22N4 — CID 103992157

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine
SMILESCN1CCC(C)(CNCc2ncc[nH]2)CC1
InChIInChI=1S/C12H22N4/c1-12(3-7-16(2)8-4-12)10-13-9-11-14-5-6-15-11/h5-6,13H,3-4,7-10H2,1-2H3,(H,14,15)
InChIKeyVCKSNIJOXQXCRP-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.23
Rot. Bonds4

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine (PubChem CID 103992157) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine
PubChem CID103992157
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine
SMILESCN1CCC(C)(CNCc2ncc[nH]2)CC1
InChIInChI=1S/C12H22N4/c1-12(3-7-16(2)8-4-12)10-13-9-11-14-5-6-15-11/h5-6,13H,3-4,7-10H2,1-2H3,(H,14,15)
InChIKeyVCKSNIJOXQXCRP-UHFFFAOYSA-N
XLogP1.23
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine (CID 103992157) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine is CN1CCC(C)(CNCc2ncc[nH]2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine?
The InChIKey is VCKSNIJOXQXCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(3-7-16(2)8-4-12)10-13-9-11-14-5-6-15-11/h5-6,13H,3-4,7-10H2,1-2H3,(H,14,15).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 103992157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).