2-[2-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol

C16H32N2O2 — CID 91321172

IUPAC2-[2-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol
SMILESCC(CO)C1CCCNC1COCCN1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-14(12-19)15-6-5-7-17-16(15)13-20-11-10-18-8-3-2-4-9-18/h14-17,19H,2-13H2,1H3
InChIKeyYHMAUMTULDBSIA-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.49
Rot. Bonds7

About 2-[2-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol

2-[2-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol (PubChem CID 91321172) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[2-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol
PubChem CID91321172
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[2-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol
SMILESCC(CO)C1CCCNC1COCCN1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-14(12-19)15-6-5-7-17-16(15)13-20-11-10-18-8-3-2-4-9-18/h14-17,19H,2-13H2,1H3
InChIKeyYHMAUMTULDBSIA-UHFFFAOYSA-N
XLogP1.49
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 2-[2-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol (CID 91321172) is 2-[2-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 2-[2-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 2-[2-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol is CC(CO)C1CCCNC1COCCN1CCCCC1.
What is the InChIKey of 2-[2-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol?
The InChIKey is YHMAUMTULDBSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-14(12-19)15-6-5-7-17-16(15)13-20-11-10-18-8-3-2-4-9-18/h14-17,19H,2-13H2,1H3.
What are the key properties of 2-[2-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol?
2-[2-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol has a molecular weight of 284.44 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 91321172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).