(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine

C11H17NO — CID 130804196

IUPAC(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
SMILESCc1ccc(C[C@@H]2CCCNC2)o1
InChIInChI=1S/C11H17NO/c1-9-4-5-11(13-9)7-10-3-2-6-12-8-10/h4-5,10,12H,2-3,6-8H2,1H3/t10-/m0/s1
InChIKeyPZQXGZKWRHIROB-JTQLQIEISA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds2

About (3S)-3-[(5-methylfuran-2-yl)methyl]piperidine

(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine (PubChem CID 130804196) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (3S)-3-[(5-methylfuran-2-yl)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
PubChem CID130804196
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
SMILESCc1ccc(C[C@@H]2CCCNC2)o1
InChIInChI=1S/C11H17NO/c1-9-4-5-11(13-9)7-10-3-2-6-12-8-10/h4-5,10,12H,2-3,6-8H2,1H3/t10-/m0/s1
InChIKeyPZQXGZKWRHIROB-JTQLQIEISA-N
XLogP2.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine
CID 131093396
N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine
CID 115118284
4-methyl-2-(piperidin-3-ylmethyl)aniline
CID 105456884
(1S,5R)-3-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 99737630
5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
CID 84665659
3-[2-(5-bromofuran-2-yl)ethyl]piperidine
CID 83488604
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 54872044
N-methyl-N-(5-methylfuran-2-yl)-2-piperidin-3-ylacetamide
CID 115160587
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-methylfuran-2-yl)methyl]piperidine?
The IUPAC name of (3S)-3-[(5-methylfuran-2-yl)methyl]piperidine (CID 130804196) is (3S)-3-[(5-methylfuran-2-yl)methyl]piperidine.
What is the SMILES notation for (3S)-3-[(5-methylfuran-2-yl)methyl]piperidine?
The canonical SMILES for (3S)-3-[(5-methylfuran-2-yl)methyl]piperidine is Cc1ccc(C[C@@H]2CCCNC2)o1.
What is the InChIKey of (3S)-3-[(5-methylfuran-2-yl)methyl]piperidine?
The InChIKey is PZQXGZKWRHIROB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NO/c1-9-4-5-11(13-9)7-10-3-2-6-12-8-10/h4-5,10,12H,2-3,6-8H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-[(5-methylfuran-2-yl)methyl]piperidine?
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine has a molecular weight of 179.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-methylfuran-2-yl)methyl]piperidine is sourced from PubChem (CID 130804196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).