(1-cyanopiperidin-3-yl)-trimethylazanium

C9H18N3+ — CID 123480322

IUPAC(1-cyanopiperidin-3-yl)-trimethylazanium
SMILESC[N+](C)(C)C1CCCN(C#N)C1
InChIInChI=1S/C9H18N3/c1-12(2,3)9-5-4-6-11(7-9)8-10/h9H,4-7H2,1-3H3/q+1
InChIKeyMFZMYPUSJKZCCE-UHFFFAOYSA-N
MW168.26 g/mol
LogP0.64
Rot. Bonds1

About (1-cyanopiperidin-3-yl)-trimethylazanium

(1-cyanopiperidin-3-yl)-trimethylazanium (PubChem CID 123480322) has the molecular formula C9H18N3+ and a molecular weight of 168.26 g/mol. Its IUPAC name is (1-cyanopiperidin-3-yl)-trimethylazanium.

Molecular Properties

Compound Name(1-cyanopiperidin-3-yl)-trimethylazanium
PubChem CID123480322
Molecular FormulaC9H18N3+
Molecular Weight168.26 g/mol
Exact Mass168.15
IUPAC Name(1-cyanopiperidin-3-yl)-trimethylazanium
SMILESC[N+](C)(C)C1CCCN(C#N)C1
InChIInChI=1S/C9H18N3/c1-12(2,3)9-5-4-6-11(7-9)8-10/h9H,4-7H2,1-3H3/q+1
InChIKeyMFZMYPUSJKZCCE-UHFFFAOYSA-N
XLogP0.64
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (1-cyanopiperidin-3-yl)-trimethylazanium with MolForge

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

Launch Full Analysis

Related Compounds

ethane;3-methylpiperidine-1-carbonitrile
CID 144937261
(3S)-3-propan-2-ylpiperidine-1-carbonitrile
CID 118445246
(4S)-4-methylazepane-1-carbonitrile
CID 164921443
2,7-dimethyl-1,4-oxazepane-4-carbonitrile
CID 164644794
4-hydroxyazepane-1-carbonitrile
CID 131020835
pyrrolidine-1-carbonitrile;hydrochloride
CID 18454671
2-fluoropyrrolidine-1-carbonitrile
CID 87211662
2-propan-2-yl-1,4-oxazepane-4-carbonitrile
CID 131020018
acetylene;3-ethylpyrrolidine-1-carbonitrile
CID 170704684
3-fluoro-4-propan-2-ylpiperidine-1-carbonitrile
CID 171505818
3-ethylsulfanylpyrrolidine-1-carbonitrile
CID 130757518
4-ethylpiperidine-1-carbonitrile
CID 89030426

Frequently Asked Questions

What is the IUPAC name of (1-cyanopiperidin-3-yl)-trimethylazanium?
The IUPAC name of (1-cyanopiperidin-3-yl)-trimethylazanium (CID 123480322) is (1-cyanopiperidin-3-yl)-trimethylazanium.
What is the SMILES notation for (1-cyanopiperidin-3-yl)-trimethylazanium?
The canonical SMILES for (1-cyanopiperidin-3-yl)-trimethylazanium is C[N+](C)(C)C1CCCN(C#N)C1.
What is the InChIKey of (1-cyanopiperidin-3-yl)-trimethylazanium?
The InChIKey is MFZMYPUSJKZCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N3/c1-12(2,3)9-5-4-6-11(7-9)8-10/h9H,4-7H2,1-3H3/q+1.
What are the key properties of (1-cyanopiperidin-3-yl)-trimethylazanium?
(1-cyanopiperidin-3-yl)-trimethylazanium has a molecular weight of 168.26 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanopiperidin-3-yl)-trimethylazanium is sourced from PubChem (CID 123480322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).