1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol

C15H32N2O2 — CID 70536436

IUPAC1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol
SMILESCCC(CN(CC(C)O)CC(C)O)N1CCCCC1
InChIInChI=1S/C15H32N2O2/c1-4-15(17-8-6-5-7-9-17)12-16(10-13(2)18)11-14(3)19/h13-15,18-19H,4-12H2,1-3H3
InChIKeyPWFQZONWHIHYMX-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.31
Rot. Bonds8

About 1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol

1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol (PubChem CID 70536436) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol
PubChem CID70536436
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol
SMILESCCC(CN(CC(C)O)CC(C)O)N1CCCCC1
InChIInChI=1S/C15H32N2O2/c1-4-15(17-8-6-5-7-9-17)12-16(10-13(2)18)11-14(3)19/h13-15,18-19H,4-12H2,1-3H3
InChIKeyPWFQZONWHIHYMX-UHFFFAOYSA-N
XLogP1.31
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol (CID 70536436) is 1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol is CCC(CN(CC(C)O)CC(C)O)N1CCCCC1.
What is the InChIKey of 1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol?
The InChIKey is PWFQZONWHIHYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-4-15(17-8-6-5-7-9-17)12-16(10-13(2)18)11-14(3)19/h13-15,18-19H,4-12H2,1-3H3.
What are the key properties of 1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol?
1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol has a molecular weight of 272.43 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl(2-piperidin-1-ylbutyl)amino]propan-2-ol is sourced from PubChem (CID 70536436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).