1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine

C10H18FN — CID 174254467

IUPAC1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine
SMILESC=C[C@@H](C)N1CCC(C)(F)CC1
InChIInChI=1S/C10H18FN/c1-4-9(2)12-7-5-10(3,11)6-8-12/h4,9H,1,5-8H2,2-3H3/t9-/m1/s1
InChIKeyAJJCJLFHIAQTAI-SECBINFHSA-N
MW171.26 g/mol
LogP2.38
Rot. Bonds2

About 1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine

1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine (PubChem CID 174254467) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine.

Molecular Properties

Compound Name1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine
PubChem CID174254467
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine
SMILESC=C[C@@H](C)N1CCC(C)(F)CC1
InChIInChI=1S/C10H18FN/c1-4-9(2)12-7-5-10(3,11)6-8-12/h4,9H,1,5-8H2,2-3H3/t9-/m1/s1
InChIKeyAJJCJLFHIAQTAI-SECBINFHSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine?
The IUPAC name of 1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine (CID 174254467) is 1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine.
What is the SMILES notation for 1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine?
The canonical SMILES for 1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine is C=C[C@@H](C)N1CCC(C)(F)CC1.
What is the InChIKey of 1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine?
The InChIKey is AJJCJLFHIAQTAI-SECBINFHSA-N. The full InChI is InChI=1S/C10H18FN/c1-4-9(2)12-7-5-10(3,11)6-8-12/h4,9H,1,5-8H2,2-3H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine?
1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine has a molecular weight of 171.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine is sourced from PubChem (CID 174254467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).