1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine

C14H20N2 — CID 137417463

IUPAC1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine
SMILESC1=CC[C@H]2CC(N3CCNCC3)C=CC2=C1
InChIInChI=1S/C14H20N2/c1-2-4-13-11-14(6-5-12(13)3-1)16-9-7-15-8-10-16/h1-3,5-6,13-15H,4,7-11H2/t13-,14?/m0/s1
InChIKeyLCJPATRRRAHRTA-LSLKUGRBSA-N
MW216.33 g/mol
LogP1.72
Rot. Bonds1

About 1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine

1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine (PubChem CID 137417463) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine.

Molecular Properties

Compound Name1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine
PubChem CID137417463
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine
SMILESC1=CC[C@H]2CC(N3CCNCC3)C=CC2=C1
InChIInChI=1S/C14H20N2/c1-2-4-13-11-14(6-5-12(13)3-1)16-9-7-15-8-10-16/h1-3,5-6,13-15H,4,7-11H2/t13-,14?/m0/s1
InChIKeyLCJPATRRRAHRTA-LSLKUGRBSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine?
The IUPAC name of 1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine (CID 137417463) is 1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine.
What is the SMILES notation for 1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine?
The canonical SMILES for 1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine is C1=CC[C@H]2CC(N3CCNCC3)C=CC2=C1.
What is the InChIKey of 1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine?
The InChIKey is LCJPATRRRAHRTA-LSLKUGRBSA-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/h1-3,5-6,13-15H,4,7-11H2/t13-,14?/m0/s1.
What are the key properties of 1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine?
1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine has a molecular weight of 216.33 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8aS)-1,2,8,8a-tetrahydronaphthalen-2-yl]piperazine is sourced from PubChem (CID 137417463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).