1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine

C17H26N2 — CID 123465698

IUPAC1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine
SMILESCC(C)C1=CC(N2CCNCC2)=CC2CCC=CC12
InChIInChI=1S/C17H26N2/c1-13(2)17-12-15(19-9-7-18-8-10-19)11-14-5-3-4-6-16(14)17/h4,6,11-14,16,18H,3,5,7-10H2,1-2H3
InChIKeyDRDUSZQZHCYGPK-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.95
Rot. Bonds2

About 1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine

1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine (PubChem CID 123465698) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine.

Molecular Properties

Compound Name1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine
PubChem CID123465698
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine
SMILESCC(C)C1=CC(N2CCNCC2)=CC2CCC=CC12
InChIInChI=1S/C17H26N2/c1-13(2)17-12-15(19-9-7-18-8-10-19)11-14-5-3-4-6-16(14)17/h4,6,11-14,16,18H,3,5,7-10H2,1-2H3
InChIKeyDRDUSZQZHCYGPK-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine?
The IUPAC name of 1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine (CID 123465698) is 1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine.
What is the SMILES notation for 1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine?
The canonical SMILES for 1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine is CC(C)C1=CC(N2CCNCC2)=CC2CCC=CC12.
What is the InChIKey of 1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine?
The InChIKey is DRDUSZQZHCYGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(2)17-12-15(19-9-7-18-8-10-19)11-14-5-3-4-6-16(14)17/h4,6,11-14,16,18H,3,5,7-10H2,1-2H3.
What are the key properties of 1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine?
1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine has a molecular weight of 258.41 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine is sourced from PubChem (CID 123465698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).