4-isocyano-1-phenylpiperidine

C12H14N2 — CID 84770167

IUPAC4-isocyano-1-phenylpiperidine
SMILES[C-]#[N+]C1CCN(c2ccccc2)CC1
InChIInChI=1S/C12H14N2/c1-13-11-7-9-14(10-8-11)12-5-3-2-4-6-12/h2-6,11H,7-10H2
InChIKeyVRQRJIIAXDEUSC-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.57
Rot. Bonds1

About 4-isocyano-1-phenylpiperidine

4-isocyano-1-phenylpiperidine (PubChem CID 84770167) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-isocyano-1-phenylpiperidine.

Molecular Properties

Compound Name4-isocyano-1-phenylpiperidine
PubChem CID84770167
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-isocyano-1-phenylpiperidine
SMILES[C-]#[N+]C1CCN(c2ccccc2)CC1
InChIInChI=1S/C12H14N2/c1-13-11-7-9-14(10-8-11)12-5-3-2-4-6-12/h2-6,11H,7-10H2
InChIKeyVRQRJIIAXDEUSC-UHFFFAOYSA-N
XLogP2.57
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.57
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

4-cyclohexyl-1-phenylpiperidine;isocyanomethane
CID 91145666
1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165
ethane;4-methyl-1-phenylpiperidine
CID 143180672
4-tert-butyl-1-phenylpiperidine
CID 612454
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
1-phenylpyrrolidin-3-ol
CID 11171152
4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 102672687
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
1-fluoro-4-phenylpiperazine
CID 23450926
1-phenyl-4-(1-phenylpiperidin-4-ylidene)piperidine
CID 15946547

Frequently Asked Questions

What is the IUPAC name of 4-isocyano-1-phenylpiperidine?
The IUPAC name of 4-isocyano-1-phenylpiperidine (CID 84770167) is 4-isocyano-1-phenylpiperidine.
What is the SMILES notation for 4-isocyano-1-phenylpiperidine?
The canonical SMILES for 4-isocyano-1-phenylpiperidine is [C-]#[N+]C1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-isocyano-1-phenylpiperidine?
The InChIKey is VRQRJIIAXDEUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-13-11-7-9-14(10-8-11)12-5-3-2-4-6-12/h2-6,11H,7-10H2.
What are the key properties of 4-isocyano-1-phenylpiperidine?
4-isocyano-1-phenylpiperidine has a molecular weight of 186.26 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isocyano-1-phenylpiperidine is sourced from PubChem (CID 84770167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).