1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine

C16H23FN2 — CID 145074067

IUPAC1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine
SMILESC=C(N)C1CCN(c2ccc(C(C)(C)F)cc2)CC1
InChIInChI=1S/C16H23FN2/c1-12(18)13-8-10-19(11-9-13)15-6-4-14(5-7-15)16(2,3)17/h4-7,13H,1,8-11,18H2,2-3H3
InChIKeyAQABESCGUYVIRR-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.58
Rot. Bonds3

About 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine

1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine (PubChem CID 145074067) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine.

Molecular Properties

Compound Name1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine
PubChem CID145074067
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine
SMILESC=C(N)C1CCN(c2ccc(C(C)(C)F)cc2)CC1
InChIInChI=1S/C16H23FN2/c1-12(18)13-8-10-19(11-9-13)15-6-4-14(5-7-15)16(2,3)17/h4-7,13H,1,8-11,18H2,2-3H3
InChIKeyAQABESCGUYVIRR-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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LY-165163
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N-phenyl-1-(2-phenylethyl)-4-piperidinamine
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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine?
The IUPAC name of 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine (CID 145074067) is 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine.
What is the SMILES notation for 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine?
The canonical SMILES for 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine is C=C(N)C1CCN(c2ccc(C(C)(C)F)cc2)CC1.
What is the InChIKey of 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine?
The InChIKey is AQABESCGUYVIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-12(18)13-8-10-19(11-9-13)15-6-4-14(5-7-15)16(2,3)17/h4-7,13H,1,8-11,18H2,2-3H3.
What are the key properties of 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine?
1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine has a molecular weight of 262.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine is sourced from PubChem (CID 145074067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).