2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol

C14H24N2O3 — CID 82696659

IUPAC2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol
SMILESCc1ccc(C(CN)N2CCC(OCCO)CC2)o1
InChIInChI=1S/C14H24N2O3/c1-11-2-3-14(19-11)13(10-15)16-6-4-12(5-7-16)18-9-8-17/h2-3,12-13,17H,4-10,15H2,1H3
InChIKeyZDGZUZICLQJMLI-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.06
Rot. Bonds6

About 2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol

2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol (PubChem CID 82696659) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol
PubChem CID82696659
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol
SMILESCc1ccc(C(CN)N2CCC(OCCO)CC2)o1
InChIInChI=1S/C14H24N2O3/c1-11-2-3-14(19-11)13(10-15)16-6-4-12(5-7-16)18-9-8-17/h2-3,12-13,17H,4-10,15H2,1H3
InChIKeyZDGZUZICLQJMLI-UHFFFAOYSA-N
XLogP1.06
TPSA71.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol (CID 82696659) is 2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol is Cc1ccc(C(CN)N2CCC(OCCO)CC2)o1.
What is the InChIKey of 2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol?
The InChIKey is ZDGZUZICLQJMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11-2-3-14(19-11)13(10-15)16-6-4-12(5-7-16)18-9-8-17/h2-3,12-13,17H,4-10,15H2,1H3.
What are the key properties of 2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol?
2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol has a molecular weight of 268.36 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82696659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).