1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine

C14H20N2 — CID 70098136

IUPAC1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine
SMILESC1=CCC2CC(N3CCNCC3)=CCC2=C1
InChIInChI=1S/C14H20N2/c1-2-4-13-11-14(6-5-12(13)3-1)16-9-7-15-8-10-16/h1-3,6,13,15H,4-5,7-11H2
InChIKeyNKTQGQNGSZULJS-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.07
Rot. Bonds1

About 1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine

1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine (PubChem CID 70098136) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine.

Molecular Properties

Compound Name1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine
PubChem CID70098136
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine
SMILESC1=CCC2CC(N3CCNCC3)=CCC2=C1
InChIInChI=1S/C14H20N2/c1-2-4-13-11-14(6-5-12(13)3-1)16-9-7-15-8-10-16/h1-3,6,13,15H,4-5,7-11H2
InChIKeyNKTQGQNGSZULJS-UHFFFAOYSA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine?
The IUPAC name of 1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine (CID 70098136) is 1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine.
What is the SMILES notation for 1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine?
The canonical SMILES for 1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine is C1=CCC2CC(N3CCNCC3)=CCC2=C1.
What is the InChIKey of 1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine?
The InChIKey is NKTQGQNGSZULJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-4-13-11-14(6-5-12(13)3-1)16-9-7-15-8-10-16/h1-3,6,13,15H,4-5,7-11H2.
What are the key properties of 1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine?
1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine has a molecular weight of 216.33 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,8,8a-tetrahydronaphthalen-2-yl)piperazine is sourced from PubChem (CID 70098136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).