1-cyclohexyl-4-isocyanopiperidine

C12H20N2 — CID 84772504

IUPAC1-cyclohexyl-4-isocyanopiperidine
SMILES[C-]#[N+]C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C12H20N2/c1-13-11-7-9-14(10-8-11)12-5-3-2-4-6-12/h11-12H,2-10H2
InChIKeyDDMWEFJBTKHUIY-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.70
Rot. Bonds1

About 1-cyclohexyl-4-isocyanopiperidine

1-cyclohexyl-4-isocyanopiperidine (PubChem CID 84772504) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-cyclohexyl-4-isocyanopiperidine.

Molecular Properties

Compound Name1-cyclohexyl-4-isocyanopiperidine
PubChem CID84772504
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-cyclohexyl-4-isocyanopiperidine
SMILES[C-]#[N+]C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C12H20N2/c1-13-11-7-9-14(10-8-11)12-5-3-2-4-6-12/h11-12H,2-10H2
InChIKeyDDMWEFJBTKHUIY-UHFFFAOYSA-N
XLogP2.70
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

isocyanocyclododecane
CID 2757985
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
1-cyclohexylpiperidine;methane
CID 143122486
1-cyclohexyl-4-(4-methylpiperidin-1-yl)piperidine
CID 1121684
1-cyclohexyl-3-(isocyanomethyl)pyrrolidine
CID 84772501
1-cyclohexyl-4-methylsulfonylpiperidine
CID 121183047
1-cyclooctyl-4-ethylpiperidine
CID 166912803
1-cyclohexylazetidine;2-methylpropane
CID 178017193
1-cyclohexyl-4-(3-isocyanopropyl)piperazine
CID 3613896
CID 175727151
CID 175727151

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-isocyanopiperidine?
The IUPAC name of 1-cyclohexyl-4-isocyanopiperidine (CID 84772504) is 1-cyclohexyl-4-isocyanopiperidine.
What is the SMILES notation for 1-cyclohexyl-4-isocyanopiperidine?
The canonical SMILES for 1-cyclohexyl-4-isocyanopiperidine is [C-]#[N+]C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-isocyanopiperidine?
The InChIKey is DDMWEFJBTKHUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-13-11-7-9-14(10-8-11)12-5-3-2-4-6-12/h11-12H,2-10H2.
What are the key properties of 1-cyclohexyl-4-isocyanopiperidine?
1-cyclohexyl-4-isocyanopiperidine has a molecular weight of 192.31 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-isocyanopiperidine is sourced from PubChem (CID 84772504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).