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

C16H26N2O3 — CID 83005347

IUPAC2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol
SMILESCC(C)Oc1cc(N2CCC(OCCO)CC2)ccc1N
InChIInChI=1S/C16H26N2O3/c1-12(2)21-16-11-13(3-4-15(16)17)18-7-5-14(6-8-18)20-10-9-19/h3-4,11-12,14,19H,5-10,17H2,1-2H3
InChIKeyJIRXFPRBCBSRCV-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.03
Rot. Bonds6

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

2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol (PubChem CID 83005347) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol
PubChem CID83005347
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol
SMILESCC(C)Oc1cc(N2CCC(OCCO)CC2)ccc1N
InChIInChI=1S/C16H26N2O3/c1-12(2)21-16-11-13(3-4-15(16)17)18-7-5-14(6-8-18)20-10-9-19/h3-4,11-12,14,19H,5-10,17H2,1-2H3
InChIKeyJIRXFPRBCBSRCV-UHFFFAOYSA-N
XLogP2.03
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol (CID 83005347) is 2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol is CC(C)Oc1cc(N2CCC(OCCO)CC2)ccc1N.
What is the InChIKey of 2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol?
The InChIKey is JIRXFPRBCBSRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)21-16-11-13(3-4-15(16)17)18-7-5-14(6-8-18)20-10-9-19/h3-4,11-12,14,19H,5-10,17H2,1-2H3.
What are the key properties of 2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol?
2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol has a molecular weight of 294.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-3-propan-2-yloxyphenyl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 83005347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).