4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol

C15H25NO2 — CID 10911986

IUPAC4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol
SMILESC[C@@H]1CC[C@@H](c2ccoc2)N[C@H]1CCC(C)(C)O
InChIInChI=1S/C15H25NO2/c1-11-4-5-14(12-7-9-18-10-12)16-13(11)6-8-15(2,3)17/h7,9-11,13-14,16-17H,4-6,8H2,1-3H3/t11-,13+,14+/m1/s1
InChIKeyBHBDCRJVCZOPFM-XBFCOCLRSA-N
MW251.37 g/mol
LogP3.26
Rot. Bonds4

About 4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol

4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol (PubChem CID 10911986) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol
PubChem CID10911986
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol
SMILESC[C@@H]1CC[C@@H](c2ccoc2)N[C@H]1CCC(C)(C)O
InChIInChI=1S/C15H25NO2/c1-11-4-5-14(12-7-9-18-10-12)16-13(11)6-8-15(2,3)17/h7,9-11,13-14,16-17H,4-6,8H2,1-3H3/t11-,13+,14+/m1/s1
InChIKeyBHBDCRJVCZOPFM-XBFCOCLRSA-N
XLogP3.26
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol (CID 10911986) is 4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol is C[C@@H]1CC[C@@H](c2ccoc2)N[C@H]1CCC(C)(C)O.
What is the InChIKey of 4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol?
The InChIKey is BHBDCRJVCZOPFM-XBFCOCLRSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-4-5-14(12-7-9-18-10-12)16-13(11)6-8-15(2,3)17/h7,9-11,13-14,16-17H,4-6,8H2,1-3H3/t11-,13+,14+/m1/s1.
What are the key properties of 4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol?
4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 10911986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).