2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol

C12H26N2O3 — CID 82695724

IUPAC2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol
SMILESCCOC(CN)CN1CCC(OCCO)CC1
InChIInChI=1S/C12H26N2O3/c1-2-16-12(9-13)10-14-5-3-11(4-6-14)17-8-7-15/h11-12,15H,2-10,13H2,1H3
InChIKeyLNAOVFPIRLKOGW-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.18
Rot. Bonds8

About 2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol

2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol (PubChem CID 82695724) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol
PubChem CID82695724
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol
SMILESCCOC(CN)CN1CCC(OCCO)CC1
InChIInChI=1S/C12H26N2O3/c1-2-16-12(9-13)10-14-5-3-11(4-6-14)17-8-7-15/h11-12,15H,2-10,13H2,1H3
InChIKeyLNAOVFPIRLKOGW-UHFFFAOYSA-N
XLogP-0.18
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol (CID 82695724) is 2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol is CCOC(CN)CN1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol?
The InChIKey is LNAOVFPIRLKOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-2-16-12(9-13)10-14-5-3-11(4-6-14)17-8-7-15/h11-12,15H,2-10,13H2,1H3.
What are the key properties of 2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol?
2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol has a molecular weight of 246.35 g/mol, XLogP of -0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82695724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).