1-butyl-4-naphthalen-1-ylpiperazine

C18H24N2 — CID 20795235

IUPAC1-butyl-4-naphthalen-1-ylpiperazine
SMILESCCCCN1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C18H24N2/c1-2-3-11-19-12-14-20(15-13-19)18-10-6-8-16-7-4-5-9-17(16)18/h4-10H,2-3,11-15H2,1H3
InChIKeyPKKYLYUHKIVDGQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.76
Rot. Bonds4

About 1-butyl-4-naphthalen-1-ylpiperazine

1-butyl-4-naphthalen-1-ylpiperazine (PubChem CID 20795235) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-butyl-4-naphthalen-1-ylpiperazine.

Molecular Properties

Compound Name1-butyl-4-naphthalen-1-ylpiperazine
PubChem CID20795235
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-butyl-4-naphthalen-1-ylpiperazine
SMILESCCCCN1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C18H24N2/c1-2-3-11-19-12-14-20(15-13-19)18-10-6-8-16-7-4-5-9-17(16)18/h4-10H,2-3,11-15H2,1H3
InChIKeyPKKYLYUHKIVDGQ-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-naphthalen-1-ylpiperazine?
The IUPAC name of 1-butyl-4-naphthalen-1-ylpiperazine (CID 20795235) is 1-butyl-4-naphthalen-1-ylpiperazine.
What is the SMILES notation for 1-butyl-4-naphthalen-1-ylpiperazine?
The canonical SMILES for 1-butyl-4-naphthalen-1-ylpiperazine is CCCCN1CCN(c2cccc3ccccc23)CC1.
What is the InChIKey of 1-butyl-4-naphthalen-1-ylpiperazine?
The InChIKey is PKKYLYUHKIVDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-3-11-19-12-14-20(15-13-19)18-10-6-8-16-7-4-5-9-17(16)18/h4-10H,2-3,11-15H2,1H3.
What are the key properties of 1-butyl-4-naphthalen-1-ylpiperazine?
1-butyl-4-naphthalen-1-ylpiperazine has a molecular weight of 268.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-naphthalen-1-ylpiperazine is sourced from PubChem (CID 20795235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).