methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride

C14H22Cl2N2O — CID 18670137

IUPACmethyl 1-benzylpiperidine-4-carboximidate;dihydrochloride
SMILESCl.Cl.[H]/N=C(\OC)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N2O.2ClH/c1-17-14(15)13-7-9-16(10-8-13)11-12-5-3-2-4-6-12;;/h2-6,13,15H,7-11H2,1H3;2*1H/b15-14-;;
InChIKeyJGFJJWAAURSXLN-GEKVWEGFSA-N
MW305.25 g/mol
LogP3.37
Rot. Bonds3

About methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride

methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride (PubChem CID 18670137) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride.

Molecular Properties

Compound Namemethyl 1-benzylpiperidine-4-carboximidate;dihydrochloride
PubChem CID18670137
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Namemethyl 1-benzylpiperidine-4-carboximidate;dihydrochloride
SMILESCl.Cl.[H]/N=C(\OC)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N2O.2ClH/c1-17-14(15)13-7-9-16(10-8-13)11-12-5-3-2-4-6-12;;/h2-6,13,15H,7-11H2,1H3;2*1H/b15-14-;;
InChIKeyJGFJJWAAURSXLN-GEKVWEGFSA-N
XLogP3.37
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.37
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 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride
CID 14518101
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
1-(1-benzylpiperidin-4-yl)-2-iminoethanone
CID 91320991
1-(1-benzylpiperidin-4-yl)butane-1,3-dione
CID 82665728
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
CID 18919929
methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
CID 119138505
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
(4-benzylpiperazin-1-yl)-cyclohexylmethanimine
CID 63178264
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
(7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane
CID 156540563

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride?
The IUPAC name of methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride (CID 18670137) is methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride.
What is the SMILES notation for methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride?
The canonical SMILES for methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride is Cl.Cl.[H]/N=C(\OC)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride?
The InChIKey is JGFJJWAAURSXLN-GEKVWEGFSA-N. The full InChI is InChI=1S/C14H20N2O.2ClH/c1-17-14(15)13-7-9-16(10-8-13)11-12-5-3-2-4-6-12;;/h2-6,13,15H,7-11H2,1H3;2*1H/b15-14-;;.
What are the key properties of methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride?
methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride has a molecular weight of 305.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzylpiperidine-4-carboximidate;dihydrochloride is sourced from PubChem (CID 18670137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).