3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine

C16H33N3 — CID 64924764

IUPAC3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine
SMILESCCCN1CCC(N2CCNC(C(C)CC)C2)CC1
InChIInChI=1S/C16H33N3/c1-4-9-18-10-6-15(7-11-18)19-12-8-17-16(13-19)14(3)5-2/h14-17H,4-13H2,1-3H3
InChIKeyGZSOXJQAUJGFSY-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds5

About 3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine

3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine (PubChem CID 64924764) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine
PubChem CID64924764
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine
SMILESCCCN1CCC(N2CCNC(C(C)CC)C2)CC1
InChIInChI=1S/C16H33N3/c1-4-9-18-10-6-15(7-11-18)19-12-8-17-16(13-19)14(3)5-2/h14-17H,4-13H2,1-3H3
InChIKeyGZSOXJQAUJGFSY-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine (CID 64924764) is 3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine is CCCN1CCC(N2CCNC(C(C)CC)C2)CC1.
What is the InChIKey of 3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine?
The InChIKey is GZSOXJQAUJGFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-9-18-10-6-15(7-11-18)19-12-8-17-16(13-19)14(3)5-2/h14-17H,4-13H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine?
3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine is sourced from PubChem (CID 64924764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).