1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol

C13H22N2O2 — CID 114678005

IUPAC1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol
SMILESCc1ccc(C(CN)N2CCC(O)C(C)C2)o1
InChIInChI=1S/C13H22N2O2/c1-9-8-15(6-5-12(9)16)11(7-14)13-4-3-10(2)17-13/h3-4,9,11-12,16H,5-8,14H2,1-2H3
InChIKeyKZPSGBXVSRHYDG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.29
Rot. Bonds3

About 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol

1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol (PubChem CID 114678005) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol
PubChem CID114678005
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol
SMILESCc1ccc(C(CN)N2CCC(O)C(C)C2)o1
InChIInChI=1S/C13H22N2O2/c1-9-8-15(6-5-12(9)16)11(7-14)13-4-3-10(2)17-13/h3-4,9,11-12,16H,5-8,14H2,1-2H3
InChIKeyKZPSGBXVSRHYDG-UHFFFAOYSA-N
XLogP1.29
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol
CID 62943169
2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
CID 79181910
2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 55160318
2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol
CID 82696659
1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol
CID 114677976
2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
CID 103531012
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine
CID 61440535
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol
CID 81097156
1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol
CID 102956003
2-(5-methylfuran-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102742936
2-(5-ethylfuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102965022
2-(5-ethylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 62346543

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol (CID 114678005) is 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol is Cc1ccc(C(CN)N2CCC(O)C(C)C2)o1.
What is the InChIKey of 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol?
The InChIKey is KZPSGBXVSRHYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-8-15(6-5-12(9)16)11(7-14)13-4-3-10(2)17-13/h3-4,9,11-12,16H,5-8,14H2,1-2H3.
What are the key properties of 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol?
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol has a molecular weight of 238.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114678005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).