(3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol

C15H25NO2 — CID 70759211

IUPAC(3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol
SMILESCCCc1ccc(CN2CC[C@](C)(O)[C@H](C)C2)o1
InChIInChI=1S/C15H25NO2/c1-4-5-13-6-7-14(18-13)11-16-9-8-15(3,17)12(2)10-16/h6-7,12,17H,4-5,8-11H2,1-3H3/t12-,15+/m1/s1
InChIKeyZKXLIUHIXVBBCK-DOMZBBRYSA-N
MW251.37 g/mol
LogP2.82
Rot. Bonds4

About (3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol

(3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol (PubChem CID 70759211) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol
PubChem CID70759211
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol
SMILESCCCc1ccc(CN2CC[C@](C)(O)[C@H](C)C2)o1
InChIInChI=1S/C15H25NO2/c1-4-5-13-6-7-14(18-13)11-16-9-8-15(3,17)12(2)10-16/h6-7,12,17H,4-5,8-11H2,1-3H3/t12-,15+/m1/s1
InChIKeyZKXLIUHIXVBBCK-DOMZBBRYSA-N
XLogP2.82
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol?
The IUPAC name of (3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol (CID 70759211) is (3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for (3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for (3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol is CCCc1ccc(CN2CC[C@](C)(O)[C@H](C)C2)o1.
What is the InChIKey of (3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol?
The InChIKey is ZKXLIUHIXVBBCK-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-5-13-6-7-14(18-13)11-16-9-8-15(3,17)12(2)10-16/h6-7,12,17H,4-5,8-11H2,1-3H3/t12-,15+/m1/s1.
What are the key properties of (3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol?
(3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol has a molecular weight of 251.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 70759211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).