1-benzyl-4-isocyano-4-phenylpiperidine

C19H20N2 — CID 20812471

IUPAC1-benzyl-4-isocyano-4-phenylpiperidine
SMILES[C-]#[N+]C1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20N2/c1-20-19(18-10-6-3-7-11-18)12-14-21(15-13-19)16-17-8-4-2-5-9-17/h2-11H,12-16H2
InChIKeyGMDWNLOZDNGDLW-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.10
Rot. Bonds3

About 1-benzyl-4-isocyano-4-phenylpiperidine

1-benzyl-4-isocyano-4-phenylpiperidine (PubChem CID 20812471) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-benzyl-4-isocyano-4-phenylpiperidine.

Molecular Properties

Compound Name1-benzyl-4-isocyano-4-phenylpiperidine
PubChem CID20812471
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1-benzyl-4-isocyano-4-phenylpiperidine
SMILES[C-]#[N+]C1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20N2/c1-20-19(18-10-6-3-7-11-18)12-14-21(15-13-19)16-17-8-4-2-5-9-17/h2-11H,12-16H2
InChIKeyGMDWNLOZDNGDLW-UHFFFAOYSA-N
XLogP4.10
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.10
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

1-benzyl-4-(isocyanomethyl)-4-phenylpiperidine
CID 5115779
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine
CID 18675820
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine
CID 59395187
4-isocyano-4-phenylpiperidine-1-carbodithioic acid
CID 140721764
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1-benzyl-4-phenyl-1,4-azaphosphinane
CID 91356669
1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide
CID 59869115

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-isocyano-4-phenylpiperidine?
The IUPAC name of 1-benzyl-4-isocyano-4-phenylpiperidine (CID 20812471) is 1-benzyl-4-isocyano-4-phenylpiperidine.
What is the SMILES notation for 1-benzyl-4-isocyano-4-phenylpiperidine?
The canonical SMILES for 1-benzyl-4-isocyano-4-phenylpiperidine is [C-]#[N+]C1(c2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-isocyano-4-phenylpiperidine?
The InChIKey is GMDWNLOZDNGDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-20-19(18-10-6-3-7-11-18)12-14-21(15-13-19)16-17-8-4-2-5-9-17/h2-11H,12-16H2.
What are the key properties of 1-benzyl-4-isocyano-4-phenylpiperidine?
1-benzyl-4-isocyano-4-phenylpiperidine has a molecular weight of 276.38 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-isocyano-4-phenylpiperidine is sourced from PubChem (CID 20812471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).