N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine

C14H21BrN2 — CID 115145458

IUPACN-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine
SMILESCN(c1ccccc1Br)C1CCNC(C)(C)C1
InChIInChI=1S/C14H21BrN2/c1-14(2)10-11(8-9-16-14)17(3)13-7-5-4-6-12(13)15/h4-7,11,16H,8-10H2,1-3H3
InChIKeyVTTNRTNEKSDFHY-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.42
Rot. Bonds2

About N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine

N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine (PubChem CID 115145458) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine
PubChem CID115145458
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine
SMILESCN(c1ccccc1Br)C1CCNC(C)(C)C1
InChIInChI=1S/C14H21BrN2/c1-14(2)10-11(8-9-16-14)17(3)13-7-5-4-6-12(13)15/h4-7,11,16H,8-10H2,1-3H3
InChIKeyVTTNRTNEKSDFHY-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-N-phenylpiperidin-4-amine;hydrochloride
CID 156708950
N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine
CID 115145443
N,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine
CID 115145436
N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine
CID 82013361
N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine
CID 115145465
N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
CID 115145533
N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146007
1-(2,2-dimethylpiperidin-4-yl)-1,2,2-trimethylhydrazine
CID 19609586
2-(2-bromophenyl)-2-methylpiperidin-4-ol
CID 83557153
N,2,2-trimethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 115145554
N-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 58349735
4-(2-bromo-N-methylanilino)piperidine-1-carboxylic acid
CID 174643908

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine?
The IUPAC name of N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine (CID 115145458) is N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine?
The canonical SMILES for N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine is CN(c1ccccc1Br)C1CCNC(C)(C)C1.
What is the InChIKey of N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine?
The InChIKey is VTTNRTNEKSDFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-14(2)10-11(8-9-16-14)17(3)13-7-5-4-6-12(13)15/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine?
N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine has a molecular weight of 297.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine is sourced from PubChem (CID 115145458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).