2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol

C17H24N2O — CID 646120

IUPAC2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol
SMILESOCC(C#CCN1CCCCC1)NCc1ccccc1
InChIInChI=1S/C17H24N2O/c20-15-17(18-14-16-8-3-1-4-9-16)10-7-13-19-11-5-2-6-12-19/h1,3-4,8-9,17-18,20H,2,5-6,11-15H2
InChIKeyUBUOPDVMOAVXPH-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.63
Rot. Bonds5

About 2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol

2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol (PubChem CID 646120) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol
PubChem CID646120
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol
SMILESOCC(C#CCN1CCCCC1)NCc1ccccc1
InChIInChI=1S/C17H24N2O/c20-15-17(18-14-16-8-3-1-4-9-16)10-7-13-19-11-5-2-6-12-19/h1,3-4,8-9,17-18,20H,2,5-6,11-15H2
InChIKeyUBUOPDVMOAVXPH-UHFFFAOYSA-N
XLogP1.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol?
The IUPAC name of 2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol (CID 646120) is 2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol.
What is the SMILES notation for 2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol?
The canonical SMILES for 2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol is OCC(C#CCN1CCCCC1)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol?
The InChIKey is UBUOPDVMOAVXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-15-17(18-14-16-8-3-1-4-9-16)10-7-13-19-11-5-2-6-12-19/h1,3-4,8-9,17-18,20H,2,5-6,11-15H2.
What are the key properties of 2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol?
2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol has a molecular weight of 272.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-5-piperidin-1-ylpent-3-yn-1-ol is sourced from PubChem (CID 646120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).