(3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine

C12H19NO — CID 131093396

IUPAC(3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine
SMILESCc1cc(C[C@@H]2CCCNC2)oc1C
InChIInChI=1S/C12H19NO/c1-9-6-12(14-10(9)2)7-11-4-3-5-13-8-11/h6,11,13H,3-5,7-8H2,1-2H3/t11-/m0/s1
InChIKeyAIGZGTHEYCBBMB-NSHDSACASA-N
MW193.29 g/mol
LogP2.44
Rot. Bonds2

About (3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine

(3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine (PubChem CID 131093396) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine
PubChem CID131093396
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine
SMILESCc1cc(C[C@@H]2CCCNC2)oc1C
InChIInChI=1S/C12H19NO/c1-9-6-12(14-10(9)2)7-11-4-3-5-13-8-11/h6,11,13H,3-5,7-8H2,1-2H3/t11-/m0/s1
InChIKeyAIGZGTHEYCBBMB-NSHDSACASA-N
XLogP2.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563
2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol
CID 84812910
3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117371526
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84778623
3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methyl]piperidine
CID 82245842
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
4-methyl-2-(piperidin-3-ylmethyl)aniline
CID 105456884

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine?
The IUPAC name of (3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine (CID 131093396) is (3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine.
What is the SMILES notation for (3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine?
The canonical SMILES for (3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine is Cc1cc(C[C@@H]2CCCNC2)oc1C.
What is the InChIKey of (3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine?
The InChIKey is AIGZGTHEYCBBMB-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO/c1-9-6-12(14-10(9)2)7-11-4-3-5-13-8-11/h6,11,13H,3-5,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine?
(3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine has a molecular weight of 193.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine is sourced from PubChem (CID 131093396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).