(3S)-3-cyclohex-2-en-1-yloxypiperidine

C11H19NO — CID 104940228

IUPAC(3S)-3-cyclohex-2-en-1-yloxypiperidine
SMILESC1=CC(O[C@H]2CCCNC2)CCC1
InChIInChI=1S/C11H19NO/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h2,5,10-12H,1,3-4,6-9H2/t10?,11-/m0/s1
InChIKeyUAPRJSJEOHNFRH-DTIOYNMSSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds2

About (3S)-3-cyclohex-2-en-1-yloxypiperidine

(3S)-3-cyclohex-2-en-1-yloxypiperidine (PubChem CID 104940228) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3S)-3-cyclohex-2-en-1-yloxypiperidine.

Molecular Properties

Compound Name(3S)-3-cyclohex-2-en-1-yloxypiperidine
PubChem CID104940228
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3S)-3-cyclohex-2-en-1-yloxypiperidine
SMILESC1=CC(O[C@H]2CCCNC2)CCC1
InChIInChI=1S/C11H19NO/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h2,5,10-12H,1,3-4,6-9H2/t10?,11-/m0/s1
InChIKeyUAPRJSJEOHNFRH-DTIOYNMSSA-N
XLogP1.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-cyclohex-2-en-1-yloxypiperidine?
The IUPAC name of (3S)-3-cyclohex-2-en-1-yloxypiperidine (CID 104940228) is (3S)-3-cyclohex-2-en-1-yloxypiperidine.
What is the SMILES notation for (3S)-3-cyclohex-2-en-1-yloxypiperidine?
The canonical SMILES for (3S)-3-cyclohex-2-en-1-yloxypiperidine is C1=CC(O[C@H]2CCCNC2)CCC1.
What is the InChIKey of (3S)-3-cyclohex-2-en-1-yloxypiperidine?
The InChIKey is UAPRJSJEOHNFRH-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h2,5,10-12H,1,3-4,6-9H2/t10?,11-/m0/s1.
What are the key properties of (3S)-3-cyclohex-2-en-1-yloxypiperidine?
(3S)-3-cyclohex-2-en-1-yloxypiperidine has a molecular weight of 181.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohex-2-en-1-yloxypiperidine is sourced from PubChem (CID 104940228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).