methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride

C15H24Cl2N2O — CID 14518101

IUPACmethyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride
SMILESCl.Cl.[H]/N=C(/CC1CCN(Cc2ccccc2)CC1)OC
InChIInChI=1S/C15H22N2O.2ClH/c1-18-15(16)11-13-7-9-17(10-8-13)12-14-5-3-2-4-6-14;;/h2-6,13,16H,7-12H2,1H3;2*1H/b16-15-;;
InChIKeyCUGZQXQOKWTTJS-NDXGFPCWSA-N
MW319.28 g/mol
LogP3.76
Rot. Bonds4

About methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride

methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride (PubChem CID 14518101) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride
PubChem CID14518101
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC Namemethyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride
SMILESCl.Cl.[H]/N=C(/CC1CCN(Cc2ccccc2)CC1)OC
InChIInChI=1S/C15H22N2O.2ClH/c1-18-15(16)11-13-7-9-17(10-8-13)12-14-5-3-2-4-6-14;;/h2-6,13,16H,7-12H2,1H3;2*1H/b16-15-;;
InChIKeyCUGZQXQOKWTTJS-NDXGFPCWSA-N
XLogP3.76
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride
CID 18670137
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
acetyl 2-(1-benzylpiperidin-4-yl)acetate
CID 175102662
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157
N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride
CID 14096838
ethyl 5-(1-benzylpiperidin-4-yl)-2-imino-3-oxopentanoate
CID 123568478
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(1-benzylpiperidin-4-yl)-dimethylazanium
CID 86306723
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
2-[3-(1-benzylpiperidin-4-yl)-2-oxopropyl]-4,5-dimethoxybenzoic acid;hydrochloride
CID 169490787
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride?
The IUPAC name of methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride (CID 14518101) is methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride.
What is the SMILES notation for methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride?
The canonical SMILES for methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride is Cl.Cl.[H]/N=C(/CC1CCN(Cc2ccccc2)CC1)OC.
What is the InChIKey of methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride?
The InChIKey is CUGZQXQOKWTTJS-NDXGFPCWSA-N. The full InChI is InChI=1S/C15H22N2O.2ClH/c1-18-15(16)11-13-7-9-17(10-8-13)12-14-5-3-2-4-6-14;;/h2-6,13,16H,7-12H2,1H3;2*1H/b16-15-;;.
What are the key properties of methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride?
methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride has a molecular weight of 319.28 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride is sourced from PubChem (CID 14518101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).