(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-But-2-en-2-yl-4-(trifluoromethyl)piperidine
CID 68186471
4-Fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 122578819
4-(Difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine
CID 145027172
(2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine
CID 146361011
2,2-Difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 155037099
4-Ethyl-5-fluoro-3,3-dimethyl-1-prop-1-en-2-ylpiperidine
CID 156329317
3-Fluoro-3-methyl-1-prop-1-en-2-ylpiperidine
CID 162729666
4-Fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 166104947
1-(3,3-Difluoroprop-1-en-2-yl)-4-ethylpiperidine
CID 169990046
2-(1-Fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine
CID 170016481
4-Fluoro-4-methyl-1-prop-1-en-2-ylpiperidine
CID 170355721
3,3-Difluoro-4-methyl-1-prop-1-en-2-ylpiperidine
CID 170642221

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).