N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

C16H23FN2 — CID 43762199

IUPACN-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2/c1-13(2)6-9-19-10-7-15(8-11-19)18-16-5-3-4-14(17)12-16/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyGZMIULXXUIYMHA-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.67
Rot. Bonds4

About N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 43762199) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID43762199
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC NameN-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2/c1-13(2)6-9-19-10-7-15(8-11-19)18-16-5-3-4-14(17)12-16/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyGZMIULXXUIYMHA-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine
CID 117027556
2-methyl-5-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]phenol
CID 107700226
N-(3-fluorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8690682
1-(3-methylbut-2-enyl)-N-thiophen-3-ylpiperidin-4-amine
CID 66350332
N-(4-bromo-2,6-difluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 65467725
N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 107582294
1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine
CID 143593858
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758624
1-(3-methylbut-2-enyl)-N-(2,4,5-trichlorophenyl)piperidin-4-amine
CID 43759083
1-(3-methylbut-2-enyl)-N-(2,4,6-tribromophenyl)piperidin-4-amine
CID 43773632
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide
CID 56803510

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 43762199) is N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCN1CCC(Nc2cccc(F)c2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is GZMIULXXUIYMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-13(2)6-9-19-10-7-15(8-11-19)18-16-5-3-4-14(17)12-16/h3-6,12,15,18H,7-11H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 262.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 43762199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).