5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol

C13H28N2O — CID 79716629

IUPAC5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
SMILESCCN(CCCCCO)CC1CCNCC1
InChIInChI=1S/C13H28N2O/c1-2-15(10-4-3-5-11-16)12-13-6-8-14-9-7-13/h13-14,16H,2-12H2,1H3
InChIKeyZPSZJLPOSOWTEQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds8

About 5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol

5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol (PubChem CID 79716629) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
PubChem CID79716629
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
SMILESCCN(CCCCCO)CC1CCNCC1
InChIInChI=1S/C13H28N2O/c1-2-15(10-4-3-5-11-16)12-13-6-8-14-9-7-13/h13-14,16H,2-12H2,1H3
InChIKeyZPSZJLPOSOWTEQ-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol?
The IUPAC name of 5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol (CID 79716629) is 5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol?
The canonical SMILES for 5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol is CCN(CCCCCO)CC1CCNCC1.
What is the InChIKey of 5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol?
The InChIKey is ZPSZJLPOSOWTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-2-15(10-4-3-5-11-16)12-13-6-8-14-9-7-13/h13-14,16H,2-12H2,1H3.
What are the key properties of 5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol?
5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol is sourced from PubChem (CID 79716629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).