(2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine

C12H19NO — CID 124500854

IUPAC(2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC[C@H]1c1ccco1
InChIInChI=1S/C12H19NO/c1-10(2)13-8-4-3-6-11(13)12-7-5-9-14-12/h5,7,9-11H,3-4,6,8H2,1-2H3/t11-/m0/s1
InChIKeyAFGWQQQZQPMQLC-NSHDSACASA-N
MW193.29 g/mol
LogP3.21
Rot. Bonds2

About (2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine

(2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine (PubChem CID 124500854) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine
PubChem CID124500854
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC[C@H]1c1ccco1
InChIInChI=1S/C12H19NO/c1-10(2)13-8-4-3-6-11(13)12-7-5-9-14-12/h5,7,9-11H,3-4,6,8H2,1-2H3/t11-/m0/s1
InChIKeyAFGWQQQZQPMQLC-NSHDSACASA-N
XLogP3.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(furan-2-yl)-1-(2-methylpropyl)piperidine
CID 124500855
(2S)-2-(furan-2-yl)-1-methylpyrrolidine
CID 24894514
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine
CID 157179926
(2R)-2-(furan-2-yl)-1-propylpiperidine
CID 124500851
(2S)-1-butyl-2-(furan-2-yl)piperidine
CID 124500858
[5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine
CID 115094077
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
(2R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 124501109
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
(2S)-1-[(2S)-2-(furan-2-yl)azepan-1-yl]-3-methoxypropan-2-ol
CID 124616125

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine?
The IUPAC name of (2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine (CID 124500854) is (2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for (2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for (2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine is CC(C)N1CCCC[C@H]1c1ccco1.
What is the InChIKey of (2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine?
The InChIKey is AFGWQQQZQPMQLC-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)13-8-4-3-6-11(13)12-7-5-9-14-12/h5,7,9-11H,3-4,6,8H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine?
(2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine has a molecular weight of 193.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 124500854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).