methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate

C21H27N3O — CID 11727462

IUPACmethyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate
SMILES[H]/N=C(\OC)C1(Nc2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-25-20(22)21(23-19-10-6-3-7-11-19)13-16-24(17-14-21)15-12-18-8-4-2-5-9-18/h2-11,22-23H,12-17H2,1H3/b22-20-
InChIKeySGIKRTZWPOKGLC-XDOYNYLZSA-N
MW337.47 g/mol
LogP3.80
Rot. Bonds6

About methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate

methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate (PubChem CID 11727462) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate.

Molecular Properties

Compound Namemethyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate
PubChem CID11727462
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Namemethyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate
SMILES[H]/N=C(\OC)C1(Nc2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-25-20(22)21(23-19-10-6-3-7-11-19)13-16-24(17-14-21)15-12-18-8-4-2-5-9-18/h2-11,22-23H,12-17H2,1H3/b22-20-
InChIKeySGIKRTZWPOKGLC-XDOYNYLZSA-N
XLogP3.80
TPSA48.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride
CID 173365914
N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 165352141
ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
CID 60791020
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid
CID 171692325
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate
CID 60992679
4-(cyclopropylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 60792929
ethyl 4-anilino-1-ethylpiperidine-4-carboxylate
CID 60992582

Frequently Asked Questions

What is the IUPAC name of methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate?
The IUPAC name of methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate (CID 11727462) is methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate.
What is the SMILES notation for methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate?
The canonical SMILES for methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate is [H]/N=C(\OC)C1(Nc2ccccc2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate?
The InChIKey is SGIKRTZWPOKGLC-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H27N3O/c1-25-20(22)21(23-19-10-6-3-7-11-19)13-16-24(17-14-21)15-12-18-8-4-2-5-9-18/h2-11,22-23H,12-17H2,1H3/b22-20-.
What are the key properties of methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate?
methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate has a molecular weight of 337.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate is sourced from PubChem (CID 11727462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).