(4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate

C19H29N3O2 — CID 67597571

IUPAC(4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate
SMILESCC(C(=O)OC1(Cc2ccccc2)CCNCC1)N1CCNCC1
InChIInChI=1S/C19H29N3O2/c1-16(22-13-11-21-12-14-22)18(23)24-19(7-9-20-10-8-19)15-17-5-3-2-4-6-17/h2-6,16,20-21H,7-15H2,1H3
InChIKeyFNYQLUSSPBGAKZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.19
Rot. Bonds5

About (4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate

(4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate (PubChem CID 67597571) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate.

Molecular Properties

Compound Name(4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate
PubChem CID67597571
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate
SMILESCC(C(=O)OC1(Cc2ccccc2)CCNCC1)N1CCNCC1
InChIInChI=1S/C19H29N3O2/c1-16(22-13-11-21-12-14-22)18(23)24-19(7-9-20-10-8-19)15-17-5-3-2-4-6-17/h2-6,16,20-21H,7-15H2,1H3
InChIKeyFNYQLUSSPBGAKZ-UHFFFAOYSA-N
XLogP1.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate?
The IUPAC name of (4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate (CID 67597571) is (4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate.
What is the SMILES notation for (4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate?
The canonical SMILES for (4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate is CC(C(=O)OC1(Cc2ccccc2)CCNCC1)N1CCNCC1.
What is the InChIKey of (4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate?
The InChIKey is FNYQLUSSPBGAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-16(22-13-11-21-12-14-22)18(23)24-19(7-9-20-10-8-19)15-17-5-3-2-4-6-17/h2-6,16,20-21H,7-15H2,1H3.
What are the key properties of (4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate?
(4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate has a molecular weight of 331.46 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-4-yl) 2-piperazin-1-ylpropanoate is sourced from PubChem (CID 67597571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).