1-methyl-4-(3-nitrosocyclohexyl)piperazine

C11H21N3O — CID 91126096

IUPAC1-methyl-4-(3-nitrosocyclohexyl)piperazine
SMILESCN1CCN(C2CCCC(N=O)C2)CC1
InChIInChI=1S/C11H21N3O/c1-13-5-7-14(8-6-13)11-4-2-3-10(9-11)12-15/h10-11H,2-9H2,1H3
InChIKeyPJBYZEOBKZGQGJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.31
Rot. Bonds2

About 1-methyl-4-(3-nitrosocyclohexyl)piperazine

1-methyl-4-(3-nitrosocyclohexyl)piperazine (PubChem CID 91126096) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-methyl-4-(3-nitrosocyclohexyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-nitrosocyclohexyl)piperazine
PubChem CID91126096
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-methyl-4-(3-nitrosocyclohexyl)piperazine
SMILESCN1CCN(C2CCCC(N=O)C2)CC1
InChIInChI=1S/C11H21N3O/c1-13-5-7-14(8-6-13)11-4-2-3-10(9-11)12-15/h10-11H,2-9H2,1H3
InChIKeyPJBYZEOBKZGQGJ-UHFFFAOYSA-N
XLogP1.31
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-(2-nitrocyclohexyl)piperazine
CID 59088742
cis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 66602973
cis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
CID 66628717
cis-(1R,3S)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
CID 66628879
trans-(1R,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
CID 66628920
trans-(1S,3S)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
CID 68059731
N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 77152044
1-Methyl-2-(2-nitrosoethyl)piperidine
CID 89049405
N,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine
CID 89049459
1-(4-Nitrosocyclohexyl)-4-propylpiperazine
CID 89281435
N,N-bis(2-nitrosopropyl)cyclohexanamine
CID 91137222
1-(3-Nitrosocyclohexyl)-4-propan-2-ylpiperazine
CID 123907417

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-nitrosocyclohexyl)piperazine?
The IUPAC name of 1-methyl-4-(3-nitrosocyclohexyl)piperazine (CID 91126096) is 1-methyl-4-(3-nitrosocyclohexyl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-nitrosocyclohexyl)piperazine?
The canonical SMILES for 1-methyl-4-(3-nitrosocyclohexyl)piperazine is CN1CCN(C2CCCC(N=O)C2)CC1.
What is the InChIKey of 1-methyl-4-(3-nitrosocyclohexyl)piperazine?
The InChIKey is PJBYZEOBKZGQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-13-5-7-14(8-6-13)11-4-2-3-10(9-11)12-15/h10-11H,2-9H2,1H3.
What are the key properties of 1-methyl-4-(3-nitrosocyclohexyl)piperazine?
1-methyl-4-(3-nitrosocyclohexyl)piperazine has a molecular weight of 211.31 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-nitrosocyclohexyl)piperazine is sourced from PubChem (CID 91126096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).