1-(4-isocyanophenyl)-4-phenylmethoxypiperidine

C19H20N2O — CID 140728394

IUPAC1-(4-isocyanophenyl)-4-phenylmethoxypiperidine
SMILES[C-]#[N+]c1ccc(N2CCC(OCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O/c1-20-17-7-9-18(10-8-17)21-13-11-19(12-14-21)22-15-16-5-3-2-4-6-16/h2-10,19H,11-15H2
InChIKeyRYKVVEUCXJGBPT-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-isocyanophenyl)-4-phenylmethoxypiperidine

1-(4-isocyanophenyl)-4-phenylmethoxypiperidine (PubChem CID 140728394) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(4-isocyanophenyl)-4-phenylmethoxypiperidine.

Molecular Properties

Compound Name1-(4-isocyanophenyl)-4-phenylmethoxypiperidine
PubChem CID140728394
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-(4-isocyanophenyl)-4-phenylmethoxypiperidine
SMILES[C-]#[N+]c1ccc(N2CCC(OCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O/c1-20-17-7-9-18(10-8-17)21-13-11-19(12-14-21)22-15-16-5-3-2-4-6-16/h2-10,19H,11-15H2
InChIKeyRYKVVEUCXJGBPT-UHFFFAOYSA-N
XLogP4.42
TPSA16.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 95811444
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[1-(4-isocyanophenyl)piperidin-4-yl]oxymethyl]-1,2-oxazole
CID 171420462
3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone
CID 24957914
4-phenylmethoxyoxane
CID 66554133
3-(4-phenylmethoxypiperidin-1-yl)-5-(trifluoromethyl)aniline
CID 164559446
azane;cyclopentyloxymethylbenzene
CID 69411306
1-phenyl-N-phenylmethoxypiperidin-4-amine
CID 106820391
4-phenylmethoxypiperidine-1-sulfonic acid
CID 174878483
4-phenylmethoxy-1-prop-2-enylpiperidine
CID 57075697
methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate
CID 139942928

Frequently Asked Questions

What is the IUPAC name of 1-(4-isocyanophenyl)-4-phenylmethoxypiperidine?
The IUPAC name of 1-(4-isocyanophenyl)-4-phenylmethoxypiperidine (CID 140728394) is 1-(4-isocyanophenyl)-4-phenylmethoxypiperidine.
What is the SMILES notation for 1-(4-isocyanophenyl)-4-phenylmethoxypiperidine?
The canonical SMILES for 1-(4-isocyanophenyl)-4-phenylmethoxypiperidine is [C-]#[N+]c1ccc(N2CCC(OCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-isocyanophenyl)-4-phenylmethoxypiperidine?
The InChIKey is RYKVVEUCXJGBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-20-17-7-9-18(10-8-17)21-13-11-19(12-14-21)22-15-16-5-3-2-4-6-16/h2-10,19H,11-15H2.
What are the key properties of 1-(4-isocyanophenyl)-4-phenylmethoxypiperidine?
1-(4-isocyanophenyl)-4-phenylmethoxypiperidine has a molecular weight of 292.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-isocyanophenyl)-4-phenylmethoxypiperidine is sourced from PubChem (CID 140728394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).