N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine

C14H16BrFN2 — CID 43772540

IUPACN-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2ccc(F)cc2Br)CC1
InChIInChI=1S/C14H16BrFN2/c1-2-7-18-8-5-12(6-9-18)17-14-4-3-11(16)10-13(14)15/h1,3-4,10,12,17H,5-9H2
InChIKeyIWWDPLIFVOZGDF-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.10
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine

N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 43772540) has the molecular formula C14H16BrFN2 and a molecular weight of 311.20 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID43772540
Molecular FormulaC14H16BrFN2
Molecular Weight311.20 g/mol
Exact Mass310.05
IUPAC NameN-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2ccc(F)cc2Br)CC1
InChIInChI=1S/C14H16BrFN2/c1-2-7-18-8-5-12(6-9-18)17-14-4-3-11(16)10-13(14)15/h1,3-4,10,12,17H,5-9H2
InChIKeyIWWDPLIFVOZGDF-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43785106
N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43774950
N-(2-bromo-6-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 107598016
N-(2-bromo-4-fluorophenyl)cyclooctanamine
CID 28939094
N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 55236856
2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline
CID 28939093
N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43781005
N-[1-(2,4-difluorophenyl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 43780397
N-(2,4-dibromophenyl)-1-ethylpiperidin-4-amine
CID 43683069
N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755634
N-(2-bromo-4-fluorophenyl)oxolan-3-amine
CID 63331950
3-nitro-4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenol
CID 43792219

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine (CID 43772540) is N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(Nc2ccc(F)cc2Br)CC1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is IWWDPLIFVOZGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2/c1-2-7-18-8-5-12(6-9-18)17-14-4-3-11(16)10-13(14)15/h1,3-4,10,12,17H,5-9H2.
What are the key properties of N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine?
N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 311.20 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 43772540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).