2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine

C18H28N2 — CID 64832346

IUPAC2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
SMILESCC(C)C1CNCCN1CC1CCCc2ccccc21
InChIInChI=1S/C18H28N2/c1-14(2)18-12-19-10-11-20(18)13-16-8-5-7-15-6-3-4-9-17(15)16/h3-4,6,9,14,16,18-19H,5,7-8,10-13H2,1-2H3
InChIKeyOXLWVMFCLLKRON-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.04
Rot. Bonds3

About 2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine

2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine (PubChem CID 64832346) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine.

Molecular Properties

Compound Name2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
PubChem CID64832346
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
SMILESCC(C)C1CNCCN1CC1CCCc2ccccc21
InChIInChI=1S/C18H28N2/c1-14(2)18-12-19-10-11-20(18)13-16-8-5-7-15-6-3-4-9-17(15)16/h3-4,6,9,14,16,18-19H,5,7-8,10-13H2,1-2H3
InChIKeyOXLWVMFCLLKRON-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine?
The IUPAC name of 2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine (CID 64832346) is 2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine.
What is the SMILES notation for 2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine?
The canonical SMILES for 2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine is CC(C)C1CNCCN1CC1CCCc2ccccc21.
What is the InChIKey of 2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine?
The InChIKey is OXLWVMFCLLKRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)18-12-19-10-11-20(18)13-16-8-5-7-15-6-3-4-9-17(15)16/h3-4,6,9,14,16,18-19H,5,7-8,10-13H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine?
2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine is sourced from PubChem (CID 64832346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).