(3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine

C12H22FN — CID 166104896

IUPAC(3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCC(C)(F)[C@@H](C(C)C)C1
InChIInChI=1S/C12H22FN/c1-9(2)11-8-14(10(3)4)7-6-12(11,5)13/h9,11H,3,6-8H2,1-2,4-5H3/t11-,12?/m1/s1
InChIKeyKWJBKUZWTDWMHT-JHJMLUEUSA-N
MW199.31 g/mol
LogP3.23
Rot. Bonds2

About (3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine

(3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine (PubChem CID 166104896) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is (3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name(3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine
PubChem CID166104896
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name(3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCC(C)(F)[C@@H](C(C)C)C1
InChIInChI=1S/C12H22FN/c1-9(2)11-8-14(10(3)4)7-6-12(11,5)13/h9,11H,3,6-8H2,1-2,4-5H3/t11-,12?/m1/s1
InChIKeyKWJBKUZWTDWMHT-JHJMLUEUSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine?
The IUPAC name of (3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine (CID 166104896) is (3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine.
What is the SMILES notation for (3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine?
The canonical SMILES for (3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine is C=C(C)N1CCC(C)(F)[C@@H](C(C)C)C1.
What is the InChIKey of (3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine?
The InChIKey is KWJBKUZWTDWMHT-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H22FN/c1-9(2)11-8-14(10(3)4)7-6-12(11,5)13/h9,11H,3,6-8H2,1-2,4-5H3/t11-,12?/m1/s1.
What are the key properties of (3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine?
(3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine has a molecular weight of 199.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 166104896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).