N-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline

C17H25FN2 — CID 142167422

IUPACN-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline
SMILESC=C(CC)N(c1cccc(F)c1)C(C)C1CCCNC1
InChIInChI=1S/C17H25FN2/c1-4-13(2)20(17-9-5-8-16(18)11-17)14(3)15-7-6-10-19-12-15/h5,8-9,11,14-15,19H,2,4,6-7,10,12H2,1,3H3
InChIKeyLLQBQQNQPQHUCE-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.94
Rot. Bonds5

About N-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline

N-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline (PubChem CID 142167422) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline.

Molecular Properties

Compound NameN-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline
PubChem CID142167422
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline
SMILESC=C(CC)N(c1cccc(F)c1)C(C)C1CCCNC1
InChIInChI=1S/C17H25FN2/c1-4-13(2)20(17-9-5-8-16(18)11-17)14(3)15-7-6-10-19-12-15/h5,8-9,11,14-15,19H,2,4,6-7,10,12H2,1,3H3
InChIKeyLLQBQQNQPQHUCE-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline?
The IUPAC name of N-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline (CID 142167422) is N-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline.
What is the SMILES notation for N-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline?
The canonical SMILES for N-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline is C=C(CC)N(c1cccc(F)c1)C(C)C1CCCNC1.
What is the InChIKey of N-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline?
The InChIKey is LLQBQQNQPQHUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-4-13(2)20(17-9-5-8-16(18)11-17)14(3)15-7-6-10-19-12-15/h5,8-9,11,14-15,19H,2,4,6-7,10,12H2,1,3H3.
What are the key properties of N-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline?
N-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline has a molecular weight of 276.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-3-fluoro-N-(1-piperidin-3-ylethyl)aniline is sourced from PubChem (CID 142167422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).