(4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine

C₁₂H₂₃FN₂ — CID 153337127

About (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine

(4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine (PubChem CID 153337127) has the molecular formula C₁₂H₂₃FN₂ and a molecular weight of 214.33 g/mol. Its IUPAC name is (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine.

Molecular Properties

• Compound Name: (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine
• PubChem CID: 153337127
• Molecular Formula: C₁₂H₂₃FN₂
• Molecular Weight: 214.33 g/mol
• Exact Mass: 214.18
• IUPAC Name: (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine
• SMILES: C=C(CC(C)(C)C)N1CC[C@H](N)C(F)C1
• InChI: InChI=1S/C12H23FN2/c1-9(7-12(2,3)4)15-6-5-11(14)10(13)8-15/h10-11H,1,5-8,14H2,2-4H3/t10?,11-/m0/s1
• InChIKey: VNOVFMJDHGXPMP-DTIOYNMSSA-N
• XLogP: 2.31
• TPSA: 29.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	214.33
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine?

The IUPAC name of (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine (CID 153337127) is (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine.

What is the SMILES notation for (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine?

The canonical SMILES for (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine is C=C(CC(C)(C)C)N1CC[C@H](N)C(F)C1.

What is the InChIKey of (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine?

The InChIKey is VNOVFMJDHGXPMP-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H23FN2/c1-9(7-12(2,3)4)15-6-5-11(14)10(13)8-15/h10-11H,1,5-8,14H2,2-4H3/t10?,11-/m0/s1.

What are the key properties of (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine?

(4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine has a molecular weight of 214.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine is sourced from PubChem (CID 153337127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153337127 — identifiers, structure, computed properties (public domain)

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