(2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine

C12H17NO — CID 101201496

IUPAC(2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine
SMILESC=CC[C@H]1C[C@H](c2ccco2)CCN1
InChIInChI=1S/C12H17NO/c1-2-4-11-9-10(6-7-13-11)12-5-3-8-14-12/h2-3,5,8,10-11,13H,1,4,6-7,9H2/t10-,11+/m1/s1
InChIKeyNRQLRYCPRZYNOR-MNOVXSKESA-N
MW191.27 g/mol
LogP2.69
Rot. Bonds3

About (2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine

(2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine (PubChem CID 101201496) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine.

Molecular Properties

Compound Name(2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine
PubChem CID101201496
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine
SMILESC=CC[C@H]1C[C@H](c2ccco2)CCN1
InChIInChI=1S/C12H17NO/c1-2-4-11-9-10(6-7-13-11)12-5-3-8-14-12/h2-3,5,8,10-11,13H,1,4,6-7,9H2/t10-,11+/m1/s1
InChIKeyNRQLRYCPRZYNOR-MNOVXSKESA-N
XLogP2.69
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.69
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 (2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine?
The IUPAC name of (2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine (CID 101201496) is (2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine.
What is the SMILES notation for (2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine?
The canonical SMILES for (2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine is C=CC[C@H]1C[C@H](c2ccco2)CCN1.
What is the InChIKey of (2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine?
The InChIKey is NRQLRYCPRZYNOR-MNOVXSKESA-N. The full InChI is InChI=1S/C12H17NO/c1-2-4-11-9-10(6-7-13-11)12-5-3-8-14-12/h2-3,5,8,10-11,13H,1,4,6-7,9H2/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine?
(2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine has a molecular weight of 191.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine is sourced from PubChem (CID 101201496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).