4-cyclohexyl-1-phenylpiperidine;isocyanomethane

C19H28N2 — CID 91145666

IUPAC4-cyclohexyl-1-phenylpiperidine;isocyanomethane
SMILES[C-]#[N+]C.c1ccc(N2CCC(C3CCCCC3)CC2)cc1
InChIInChI=1S/C17H25N.C2H3N/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)17-9-5-2-6-10-17;1-3-2/h2,5-6,9-10,15-16H,1,3-4,7-8,11-14H2;1H3
InChIKeyBZXGPVZZFJFVHK-UHFFFAOYSA-N
MW284.45 g/mol
LogP5.02
Rot. Bonds2

About 4-cyclohexyl-1-phenylpiperidine;isocyanomethane

4-cyclohexyl-1-phenylpiperidine;isocyanomethane (PubChem CID 91145666) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 4-cyclohexyl-1-phenylpiperidine;isocyanomethane.

Molecular Properties

Compound Name4-cyclohexyl-1-phenylpiperidine;isocyanomethane
PubChem CID91145666
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name4-cyclohexyl-1-phenylpiperidine;isocyanomethane
SMILES[C-]#[N+]C.c1ccc(N2CCC(C3CCCCC3)CC2)cc1
InChIInChI=1S/C17H25N.C2H3N/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)17-9-5-2-6-10-17;1-3-2/h2,5-6,9-10,15-16H,1,3-4,7-8,11-14H2;1H3
InChIKeyBZXGPVZZFJFVHK-UHFFFAOYSA-N
XLogP5.02
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.02
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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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-phenylpiperidine;isocyanomethane?
The IUPAC name of 4-cyclohexyl-1-phenylpiperidine;isocyanomethane (CID 91145666) is 4-cyclohexyl-1-phenylpiperidine;isocyanomethane.
What is the SMILES notation for 4-cyclohexyl-1-phenylpiperidine;isocyanomethane?
The canonical SMILES for 4-cyclohexyl-1-phenylpiperidine;isocyanomethane is [C-]#[N+]C.c1ccc(N2CCC(C3CCCCC3)CC2)cc1.
What is the InChIKey of 4-cyclohexyl-1-phenylpiperidine;isocyanomethane?
The InChIKey is BZXGPVZZFJFVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N.C2H3N/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)17-9-5-2-6-10-17;1-3-2/h2,5-6,9-10,15-16H,1,3-4,7-8,11-14H2;1H3.
What are the key properties of 4-cyclohexyl-1-phenylpiperidine;isocyanomethane?
4-cyclohexyl-1-phenylpiperidine;isocyanomethane has a molecular weight of 284.45 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-phenylpiperidine;isocyanomethane is sourced from PubChem (CID 91145666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).