1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C17H24BrClN4 — CID 120782190

IUPAC1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2ncc(-c3ccc(Br)cc3)[nH]2)CCC1N.Cl
InChIInChI=1S/C17H23BrN4.ClH/c1-17(2)11-22(8-7-15(17)19)10-16-20-9-14(21-16)12-3-5-13(18)6-4-12;/h3-6,9,15H,7-8,10-11,19H2,1-2H3,(H,20,21);1H
InChIKeyYMGNHHMEPXBRSC-UHFFFAOYSA-N
MW399.76 g/mol
LogP3.82
Rot. Bonds3

About 1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120782190) has the molecular formula C17H24BrClN4 and a molecular weight of 399.76 g/mol. Its IUPAC name is 1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120782190
Molecular FormulaC17H24BrClN4
Molecular Weight399.76 g/mol
Exact Mass398.09
IUPAC Name1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2ncc(-c3ccc(Br)cc3)[nH]2)CCC1N.Cl
InChIInChI=1S/C17H23BrN4.ClH/c1-17(2)11-22(8-7-15(17)19)10-16-20-9-14(21-16)12-3-5-13(18)6-4-12;/h3-6,9,15H,7-8,10-11,19H2,1-2H3,(H,20,21);1H
InChIKeyYMGNHHMEPXBRSC-UHFFFAOYSA-N
XLogP3.82
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.76
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120776732
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120847118
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride
CID 120775821
1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781712
3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 120781510
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-4-bromophenol
CID 120781772
3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride
CID 120781479
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782314
3,3-dimethyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847184
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781982
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120782190) is 1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is CC1(C)CN(Cc2ncc(-c3ccc(Br)cc3)[nH]2)CCC1N.Cl.
What is the InChIKey of 1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is YMGNHHMEPXBRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4.ClH/c1-17(2)11-22(8-7-15(17)19)10-16-20-9-14(21-16)12-3-5-13(18)6-4-12;/h3-6,9,15H,7-8,10-11,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 399.76 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120782190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).