1-methyl-4-(2-nitrosopropan-2-yl)piperidine

C9H18N2O — CID 170382525

IUPAC1-methyl-4-(2-nitrosopropan-2-yl)piperidine
SMILESCN1CCC(C(C)(C)N=O)CC1
InChIInChI=1S/C9H18N2O/c1-9(2,10-12)8-4-6-11(3)7-5-8/h8H,4-7H2,1-3H3
InChIKeyGZNMNBQSNWLLQI-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.87
Rot. Bonds2

About 1-methyl-4-(2-nitrosopropan-2-yl)piperidine

1-methyl-4-(2-nitrosopropan-2-yl)piperidine (PubChem CID 170382525) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-methyl-4-(2-nitrosopropan-2-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(2-nitrosopropan-2-yl)piperidine
PubChem CID170382525
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-methyl-4-(2-nitrosopropan-2-yl)piperidine
SMILESCN1CCC(C(C)(C)N=O)CC1
InChIInChI=1S/C9H18N2O/c1-9(2,10-12)8-4-6-11(3)7-5-8/h8H,4-7H2,1-3H3
InChIKeyGZNMNBQSNWLLQI-UHFFFAOYSA-N
XLogP1.87
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine
CID 162008931
2-amino-2-(1-methylpiperidin-4-yl)propanoic acid
CID 82602342
dicyclopropyl-(1-methylpiperidin-4-yl)methanol
CID 110182779
(3R)-3-tert-butyl-1-methylpyrrolidine
CID 58837566
methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate
CID 116963121
1-methyl-3-(2-methylbutan-2-yl)pyrrolidine
CID 129106499
2,2-difluoro-2-(1-methylpiperidin-4-yl)acetaldehyde
CID 105436778
2-(1-methylpyrrolidin-3-yl)propane-2-thiol
CID 116866670
2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid
CID 115219676
ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol
CID 166075678
2-[(3R)-1-methylpyrrolidin-3-yl]propan-2-amine
CID 59033358
2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
CID 115162294

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-nitrosopropan-2-yl)piperidine?
The IUPAC name of 1-methyl-4-(2-nitrosopropan-2-yl)piperidine (CID 170382525) is 1-methyl-4-(2-nitrosopropan-2-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(2-nitrosopropan-2-yl)piperidine?
The canonical SMILES for 1-methyl-4-(2-nitrosopropan-2-yl)piperidine is CN1CCC(C(C)(C)N=O)CC1.
What is the InChIKey of 1-methyl-4-(2-nitrosopropan-2-yl)piperidine?
The InChIKey is GZNMNBQSNWLLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,10-12)8-4-6-11(3)7-5-8/h8H,4-7H2,1-3H3.
What are the key properties of 1-methyl-4-(2-nitrosopropan-2-yl)piperidine?
1-methyl-4-(2-nitrosopropan-2-yl)piperidine has a molecular weight of 170.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-nitrosopropan-2-yl)piperidine is sourced from PubChem (CID 170382525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).