2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol

C14H25N3O2 — CID 111439622

IUPAC2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol
SMILESCCn1cc(C2CCN(CCOCCO)CC2)cn1
InChIInChI=1S/C14H25N3O2/c1-2-17-12-14(11-15-17)13-3-5-16(6-4-13)7-9-19-10-8-18/h11-13,18H,2-10H2,1H3
InChIKeyCHJYDEDTZNBLOJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.09
Rot. Bonds7

About 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol

2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol (PubChem CID 111439622) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol
PubChem CID111439622
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol
SMILESCCn1cc(C2CCN(CCOCCO)CC2)cn1
InChIInChI=1S/C14H25N3O2/c1-2-17-12-14(11-15-17)13-3-5-16(6-4-13)7-9-19-10-8-18/h11-13,18H,2-10H2,1H3
InChIKeyCHJYDEDTZNBLOJ-UHFFFAOYSA-N
XLogP1.09
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol (CID 111439622) is 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol is CCn1cc(C2CCN(CCOCCO)CC2)cn1.
What is the InChIKey of 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol?
The InChIKey is CHJYDEDTZNBLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-17-12-14(11-15-17)13-3-5-16(6-4-13)7-9-19-10-8-18/h11-13,18H,2-10H2,1H3.
What are the key properties of 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol?
2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol has a molecular weight of 267.37 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 111439622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).