1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine

C19H28N4 — CID 119111154

IUPAC1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESCC1CC(C)CN(Cc2ccc(CNCc3ncc[nH]3)cc2)C1
InChIInChI=1S/C19H28N4/c1-15-9-16(2)13-23(12-15)14-18-5-3-17(4-6-18)10-20-11-19-21-7-8-22-19/h3-8,15-16,20H,9-14H2,1-2H3,(H,21,22)
InChIKeyBTINKITTWKVMDP-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.18
Rot. Bonds6

About 1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine

1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine (PubChem CID 119111154) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
PubChem CID119111154
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESCC1CC(C)CN(Cc2ccc(CNCc3ncc[nH]3)cc2)C1
InChIInChI=1S/C19H28N4/c1-15-9-16(2)13-23(12-15)14-18-5-3-17(4-6-18)10-20-11-19-21-7-8-22-19/h3-8,15-16,20H,9-14H2,1-2H3,(H,21,22)
InChIKeyBTINKITTWKVMDP-UHFFFAOYSA-N
XLogP3.18
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine?
The IUPAC name of 1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine (CID 119111154) is 1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine is CC1CC(C)CN(Cc2ccc(CNCc3ncc[nH]3)cc2)C1.
What is the InChIKey of 1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine?
The InChIKey is BTINKITTWKVMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-15-9-16(2)13-23(12-15)14-18-5-3-17(4-6-18)10-20-11-19-21-7-8-22-19/h3-8,15-16,20H,9-14H2,1-2H3,(H,21,22).
What are the key properties of 1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine?
1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine has a molecular weight of 312.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine is sourced from PubChem (CID 119111154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).