2-ethylbutan-1-ol;4-(furan-3-yl)piperidine

C15H27NO2 — CID 142245522

IUPAC2-ethylbutan-1-ol;4-(furan-3-yl)piperidine
SMILESCCC(CC)CO.c1cc(C2CCNCC2)co1
InChIInChI=1S/C9H13NO.C6H14O/c1-4-10-5-2-8(1)9-3-6-11-7-9;1-3-6(4-2)5-7/h3,6-8,10H,1-2,4-5H2;6-7H,3-5H2,1-2H3
InChIKeyJBDAKLRZERFVBR-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.16
Rot. Bonds4

About 2-ethylbutan-1-ol;4-(furan-3-yl)piperidine

2-ethylbutan-1-ol;4-(furan-3-yl)piperidine (PubChem CID 142245522) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-ethylbutan-1-ol;4-(furan-3-yl)piperidine.

Molecular Properties

Compound Name2-ethylbutan-1-ol;4-(furan-3-yl)piperidine
PubChem CID142245522
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-ethylbutan-1-ol;4-(furan-3-yl)piperidine
SMILESCCC(CC)CO.c1cc(C2CCNCC2)co1
InChIInChI=1S/C9H13NO.C6H14O/c1-4-10-5-2-8(1)9-3-6-11-7-9;1-3-6(4-2)5-7/h3,6-8,10H,1-2,4-5H2;6-7H,3-5H2,1-2H3
InChIKeyJBDAKLRZERFVBR-UHFFFAOYSA-N
XLogP3.16
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-3-yl)azepane
CID 83262129
4-(furan-3-yl)azepane;(3-methylphenyl)methanol
CID 142245478
4-(furan-3-yl)piperidine-2-carboxylic acid
CID 82400578
4-(4-chlorophenyl)piperidine;ethane
CID 143751340
4-(6-methylcyclopenta[c]pyran-5-yl)piperidine
CID 57054842
4-(4-ethylsulfanylphenyl)piperidine
CID 82494376
4-(4-ethoxyphenyl)piperidine
CID 21495191
3-(6-propan-2-ylthian-3-yl)furan
CID 57145132
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
ethane;4-(4-methylphenyl)piperidine
CID 145467036
methanamine;4-phenylpiperidine
CID 143444696
4-[4-(oxetan-3-yl)phenyl]piperidine
CID 83836156

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutan-1-ol;4-(furan-3-yl)piperidine?
The IUPAC name of 2-ethylbutan-1-ol;4-(furan-3-yl)piperidine (CID 142245522) is 2-ethylbutan-1-ol;4-(furan-3-yl)piperidine.
What is the SMILES notation for 2-ethylbutan-1-ol;4-(furan-3-yl)piperidine?
The canonical SMILES for 2-ethylbutan-1-ol;4-(furan-3-yl)piperidine is CCC(CC)CO.c1cc(C2CCNCC2)co1.
What is the InChIKey of 2-ethylbutan-1-ol;4-(furan-3-yl)piperidine?
The InChIKey is JBDAKLRZERFVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C6H14O/c1-4-10-5-2-8(1)9-3-6-11-7-9;1-3-6(4-2)5-7/h3,6-8,10H,1-2,4-5H2;6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethylbutan-1-ol;4-(furan-3-yl)piperidine?
2-ethylbutan-1-ol;4-(furan-3-yl)piperidine has a molecular weight of 253.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutan-1-ol;4-(furan-3-yl)piperidine is sourced from PubChem (CID 142245522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).