N-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

C16H21BrF2N2 — CID 65467725

IUPACN-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(Nc2c(F)cc(Br)cc2F)CC1
InChIInChI=1S/C16H21BrF2N2/c1-11(2)3-6-21-7-4-13(5-8-21)20-16-14(18)9-12(17)10-15(16)19/h3,9-10,13,20H,4-8H2,1-2H3
InChIKeyVZIQZNINANENKF-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.57
Rot. Bonds4

About N-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

N-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 65467725) has the molecular formula C16H21BrF2N2 and a molecular weight of 359.26 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID65467725
Molecular FormulaC16H21BrF2N2
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(Nc2c(F)cc(Br)cc2F)CC1
InChIInChI=1S/C16H21BrF2N2/c1-11(2)3-6-21-7-4-13(5-8-21)20-16-14(18)9-12(17)10-15(16)19/h3,9-10,13,20H,4-8H2,1-2H3
InChIKeyVZIQZNINANENKF-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 65467725) is N-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCN1CCC(Nc2c(F)cc(Br)cc2F)CC1.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is VZIQZNINANENKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrF2N2/c1-11(2)3-6-21-7-4-13(5-8-21)20-16-14(18)9-12(17)10-15(16)19/h3,9-10,13,20H,4-8H2,1-2H3.
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 359.26 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 65467725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).