(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine

C15H24FN — CID 71165840

IUPAC(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
SMILESC/C=C\[C@@H]1C[C@H]([C@H]2C=CC[C@@H](F)C2)CNC1C
InChIInChI=1S/C15H24FN/c1-3-5-12-8-14(10-17-11(12)2)13-6-4-7-15(16)9-13/h3-6,11-15,17H,7-10H2,1-2H3/b5-3-/t11?,12-,13+,14+,15-/m1/s1
InChIKeyFZWNGFJKWLASDJ-SVRXJUAWSA-N
MW237.36 g/mol
LogP3.48
Rot. Bonds2

About (3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine

(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine (PubChem CID 71165840) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is (3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine.

Molecular Properties

Compound Name(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
PubChem CID71165840
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
SMILESC/C=C\[C@@H]1C[C@H]([C@H]2C=CC[C@@H](F)C2)CNC1C
InChIInChI=1S/C15H24FN/c1-3-5-12-8-14(10-17-11(12)2)13-6-4-7-15(16)9-13/h3-6,11-15,17H,7-10H2,1-2H3/b5-3-/t11?,12-,13+,14+,15-/m1/s1
InChIKeyFZWNGFJKWLASDJ-SVRXJUAWSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
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 (3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine?
The IUPAC name of (3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine (CID 71165840) is (3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine.
What is the SMILES notation for (3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine?
The canonical SMILES for (3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine is C/C=C\[C@@H]1C[C@H]([C@H]2C=CC[C@@H](F)C2)CNC1C.
What is the InChIKey of (3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine?
The InChIKey is FZWNGFJKWLASDJ-SVRXJUAWSA-N. The full InChI is InChI=1S/C15H24FN/c1-3-5-12-8-14(10-17-11(12)2)13-6-4-7-15(16)9-13/h3-6,11-15,17H,7-10H2,1-2H3/b5-3-/t11?,12-,13+,14+,15-/m1/s1.
What are the key properties of (3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine?
(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine has a molecular weight of 237.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine is sourced from PubChem (CID 71165840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).