(2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate

C14H19N2O2- — CID 163495513

IUPAC(2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate
SMILESC[C@H]1CCCCN1C([O-])=NOCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-12-7-5-6-10-16(12)14(17)15-18-11-13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10-11H2,1H3,(H,15,17)/p-1/t12-/m0/s1
InChIKeyCQINDYWRBYYANL-LBPRGKRZSA-M
MW247.32 g/mol
LogP1.71
Rot. Bonds3

About (2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate

(2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate (PubChem CID 163495513) has the molecular formula C14H19N2O2- and a molecular weight of 247.32 g/mol. Its IUPAC name is (2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate.

Molecular Properties

Compound Name(2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate
PubChem CID163495513
Molecular FormulaC14H19N2O2-
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name(2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate
SMILESC[C@H]1CCCCN1C([O-])=NOCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-12-7-5-6-10-16(12)14(17)15-18-11-13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10-11H2,1H3,(H,15,17)/p-1/t12-/m0/s1
InChIKeyCQINDYWRBYYANL-LBPRGKRZSA-M
XLogP1.71
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine
CID 46881758
(E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine
CID 162414091
4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole
CID 15257621
Benzoxypiperidin
CID 18458358
1-[Fluoro(phenyl)methoxy]piperidine
CID 57214948
3-(4-Fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine
CID 141468633
4-Fluoro-1-phenylmethoxypiperidine
CID 141752908
2-Fluoro-1-phenylmethoxypiperidine
CID 141752914
3-Fluoro-1-phenylmethoxypiperidine
CID 141752916
(2S,5R)-2-(1,1-difluoroethyl)-6-phenylmethoxy-6-aza-1-azoniabicyclo[3.2.1]oct-1(7)-en-7-ol
CID 153400928
Trimethylbenzoxypiperidinhydrochlorid
CID 129636839
Trimethylbenzoxypiperidin
CID 129636840

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate?
The IUPAC name of (2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate (CID 163495513) is (2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate.
What is the SMILES notation for (2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate?
The canonical SMILES for (2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate is C[C@H]1CCCCN1C([O-])=NOCc1ccccc1.
What is the InChIKey of (2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate?
The InChIKey is CQINDYWRBYYANL-LBPRGKRZSA-M. The full InChI is InChI=1S/C14H20N2O2/c1-12-7-5-6-10-16(12)14(17)15-18-11-13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10-11H2,1H3,(H,15,17)/p-1/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate?
(2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate has a molecular weight of 247.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate is sourced from PubChem (CID 163495513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).