N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

C16H25BrN2 — CID 28674695

IUPACN-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2cccc(Br)c2)CC(C)(C)N1
InChIInChI=1S/C16H25BrN2/c1-15(2)9-14(10-16(3,4)19-15)18-11-12-6-5-7-13(17)8-12/h5-8,14,18-19H,9-11H2,1-4H3
InChIKeyWXMGTRJRQLKXJC-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.85
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 28674695) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID28674695
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2cccc(Br)c2)CC(C)(C)N1
InChIInChI=1S/C16H25BrN2/c1-15(2)9-14(10-16(3,4)19-15)18-11-12-6-5-7-13(17)8-12/h5-8,14,18-19H,9-11H2,1-4H3
InChIKeyWXMGTRJRQLKXJC-UHFFFAOYSA-N
XLogP3.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 119114791
3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide
CID 63277160
4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
CID 28674803
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 60687154
N-(furan-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 63204890
N-[(3-bromophenyl)methyl]azepan-4-amine
CID 103981810
N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 61401388
N-(1H-indazol-6-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114803
trans-(1S,2S)-1-N,2-N-bis[(3-bromophenyl)methyl]cyclohexane-1,2-diamine
CID 51041024
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114792
N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 66385034
N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 29274544

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 28674695) is N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is CC1(C)CC(NCc2cccc(Br)c2)CC(C)(C)N1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is WXMGTRJRQLKXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-15(2)9-14(10-16(3,4)19-15)18-11-12-6-5-7-13(17)8-12/h5-8,14,18-19H,9-11H2,1-4H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 325.29 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 28674695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).