1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine

C13H25N3O — CID 123907417

IUPAC1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCCC(N=O)C2)CC1
InChIInChI=1S/C13H25N3O/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(10-13)14-17/h11-13H,3-10H2,1-2H3
InChIKeyKVVZUKYJRWONLD-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.09
Rot. Bonds3

About 1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine

1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine (PubChem CID 123907417) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine
PubChem CID123907417
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCCC(N=O)C2)CC1
InChIInChI=1S/C13H25N3O/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(10-13)14-17/h11-13H,3-10H2,1-2H3
InChIKeyKVVZUKYJRWONLD-UHFFFAOYSA-N
XLogP2.09
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine (CID 123907417) is 1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine is CC(C)N1CCN(C2CCCC(N=O)C2)CC1.
What is the InChIKey of 1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine?
The InChIKey is KVVZUKYJRWONLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(10-13)14-17/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine?
1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine has a molecular weight of 239.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrosocyclohexyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 123907417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).