[1-(1-methylcyclohexyl)piperidin-4-yl] cyanate

C13H22N2O — CID 143429951

IUPAC[1-(1-methylcyclohexyl)piperidin-4-yl] cyanate
SMILESCC1(N2CCC(OC#N)CC2)CCCCC1
InChIInChI=1S/C13H22N2O/c1-13(7-3-2-4-8-13)15-9-5-12(6-10-15)16-11-14/h12H,2-10H2,1H3
InChIKeyQKDGXUXVXJDBTA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.67
Rot. Bonds2

About [1-(1-methylcyclohexyl)piperidin-4-yl] cyanate

[1-(1-methylcyclohexyl)piperidin-4-yl] cyanate (PubChem CID 143429951) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [1-(1-methylcyclohexyl)piperidin-4-yl] cyanate.

Molecular Properties

Compound Name[1-(1-methylcyclohexyl)piperidin-4-yl] cyanate
PubChem CID143429951
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[1-(1-methylcyclohexyl)piperidin-4-yl] cyanate
SMILESCC1(N2CCC(OC#N)CC2)CCCCC1
InChIInChI=1S/C13H22N2O/c1-13(7-3-2-4-8-13)15-9-5-12(6-10-15)16-11-14/h12H,2-10H2,1H3
InChIKeyQKDGXUXVXJDBTA-UHFFFAOYSA-N
XLogP2.67
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylcyclooctyl)piperidin-4-ol
CID 67281005
1-(1-methylcyclopentyl)piperidin-4-ol
CID 67281081
1-methyl-4-(1-methylcycloheptyl)piperazine
CID 71065653
8a-methyl-2,3,5,6,7,8-hexahydro-1H-indolizin-7-amine
CID 90440112
[1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 21334076
2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol
CID 70862184
2-(1-methylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929015
ethane;(1-methylcyclohexyl) cyanate;propane
CID 142970987
N-(2-isocyanoethyl)-N-methyl-1-(1-methylcyclohexyl)piperidin-4-amine
CID 91584399
1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine
CID 71054744
1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane
CID 163797591
1-(1-methylcyclopentyl)-1,4-diazepane
CID 64686822

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylcyclohexyl)piperidin-4-yl] cyanate?
The IUPAC name of [1-(1-methylcyclohexyl)piperidin-4-yl] cyanate (CID 143429951) is [1-(1-methylcyclohexyl)piperidin-4-yl] cyanate.
What is the SMILES notation for [1-(1-methylcyclohexyl)piperidin-4-yl] cyanate?
The canonical SMILES for [1-(1-methylcyclohexyl)piperidin-4-yl] cyanate is CC1(N2CCC(OC#N)CC2)CCCCC1.
What is the InChIKey of [1-(1-methylcyclohexyl)piperidin-4-yl] cyanate?
The InChIKey is QKDGXUXVXJDBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(7-3-2-4-8-13)15-9-5-12(6-10-15)16-11-14/h12H,2-10H2,1H3.
What are the key properties of [1-(1-methylcyclohexyl)piperidin-4-yl] cyanate?
[1-(1-methylcyclohexyl)piperidin-4-yl] cyanate has a molecular weight of 222.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylcyclohexyl)piperidin-4-yl] cyanate is sourced from PubChem (CID 143429951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).