N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine

C14H20BrIN2 — CID 114258870

IUPACN-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2cc(I)ccc2Br)CC1
InChIInChI=1S/C14H20BrIN2/c1-10(2)18-7-5-12(6-8-18)17-14-9-11(16)3-4-13(14)15/h3-4,9-10,12,17H,5-8H2,1-2H3
InChIKeyBBSQBIBGGKZJOW-UHFFFAOYSA-N
MW423.14 g/mol
LogP4.34
Rot. Bonds3

About N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine

N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 114258870) has the molecular formula C14H20BrIN2 and a molecular weight of 423.14 g/mol. Its IUPAC name is N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID114258870
Molecular FormulaC14H20BrIN2
Molecular Weight423.14 g/mol
Exact Mass421.99
IUPAC NameN-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2cc(I)ccc2Br)CC1
InChIInChI=1S/C14H20BrIN2/c1-10(2)18-7-5-12(6-8-18)17-14-9-11(16)3-4-13(14)15/h3-4,9-10,12,17H,5-8H2,1-2H3
InChIKeyBBSQBIBGGKZJOW-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.14
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine
CID 114259571
N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 82761403
N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43555455
N-(4-bromo-3-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 65432364
N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 104722837
N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074191
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222294
2-bromo-5-iodo-N-propan-2-ylaniline
CID 126975603
(2-bromo-5-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 103994516
4-bromo-2-[(1-propan-2-ylazepan-4-yl)amino]benzonitrile
CID 107797519
2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine
CID 43726465
N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 5131485

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine (CID 114258870) is N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(Nc2cc(I)ccc2Br)CC1.
What is the InChIKey of N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is BBSQBIBGGKZJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrIN2/c1-10(2)18-7-5-12(6-8-18)17-14-9-11(16)3-4-13(14)15/h3-4,9-10,12,17H,5-8H2,1-2H3.
What are the key properties of N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine?
N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 423.14 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 114258870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).