1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one

C13H25N3O2 — CID 43590572

IUPAC1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC(CO)C1)N1CCNCC1
InChIInChI=1S/C13H25N3O2/c1-11(15-7-4-14-5-8-15)13(18)16-6-2-3-12(9-16)10-17/h11-12,14,17H,2-10H2,1H3
InChIKeySSBNLCMZLVITSD-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.49
Rot. Bonds3

About 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one

1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one (PubChem CID 43590572) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one
PubChem CID43590572
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC(CO)C1)N1CCNCC1
InChIInChI=1S/C13H25N3O2/c1-11(15-7-4-14-5-8-15)13(18)16-6-2-3-12(9-16)10-17/h11-12,14,17H,2-10H2,1H3
InChIKeySSBNLCMZLVITSD-UHFFFAOYSA-N
XLogP-0.49
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one (CID 43590572) is 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCCC(CO)C1)N1CCNCC1.
What is the InChIKey of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one?
The InChIKey is SSBNLCMZLVITSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(15-7-4-14-5-8-15)13(18)16-6-2-3-12(9-16)10-17/h11-12,14,17H,2-10H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one?
1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one has a molecular weight of 255.36 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 43590572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).