N-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine

C14H20BrIN2 — CID 114259571

IUPACN-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2ccc(Br)c(I)c2)CC1
InChIInChI=1S/C14H20BrIN2/c1-10(2)18-7-5-11(6-8-18)17-12-3-4-13(15)14(16)9-12/h3-4,9-11,17H,5-8H2,1-2H3
InChIKeyOOIAOGPALHLIEQ-UHFFFAOYSA-N
MW423.14 g/mol
LogP4.34
Rot. Bonds3

About N-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine

N-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 114259571) has the molecular formula C14H20BrIN2 and a molecular weight of 423.14 g/mol. Its IUPAC name is N-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID114259571
Molecular FormulaC14H20BrIN2
Molecular Weight423.14 g/mol
Exact Mass421.99
IUPAC NameN-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2ccc(Br)c(I)c2)CC1
InChIInChI=1S/C14H20BrIN2/c1-10(2)18-7-5-11(6-8-18)17-12-3-4-13(15)14(16)9-12/h3-4,9-11,17H,5-8H2,1-2H3
InChIKeyOOIAOGPALHLIEQ-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-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 65432364
N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine
CID 114258870
N-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine
CID 60942481
N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43719255
N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43555455
2-[4-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]ethanol
CID 61237683
1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one
CID 54866098
2-[4-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]acetonitrile
CID 43722185
N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072849
methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate
CID 60944093
N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 82761403
2-N,2-N-dimethyl-5-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2,5-diamine
CID 43690467

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine (CID 114259571) is N-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(Nc2ccc(Br)c(I)c2)CC1.
What is the InChIKey of N-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is OOIAOGPALHLIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrIN2/c1-10(2)18-7-5-11(6-8-18)17-12-3-4-13(15)14(16)9-12/h3-4,9-11,17H,5-8H2,1-2H3.
What are the key properties of N-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine?
N-(4-bromo-3-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-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 114259571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).