N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid

C21H32N2O4 — CID 17369346

IUPACN-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid
SMILESCN(Cc1ccccc1)C1CCN(C2CCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2.C2H2O4/c1-20(16-17-8-4-2-5-9-17)18-12-14-21(15-13-18)19-10-6-3-7-11-19;3-1(4)2(5)6/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3;(H,3,4)(H,5,6)
InChIKeyGSQVBBLBGWOIII-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.07
Rot. Bonds4

About N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid

N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid (PubChem CID 17369346) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid.

Molecular Properties

Compound NameN-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid
PubChem CID17369346
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC NameN-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid
SMILESCN(Cc1ccccc1)C1CCN(C2CCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2.C2H2O4/c1-20(16-17-8-4-2-5-9-17)18-12-14-21(15-13-18)19-10-6-3-7-11-19;3-1(4)2(5)6/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3;(H,3,4)(H,5,6)
InChIKeyGSQVBBLBGWOIII-UHFFFAOYSA-N
XLogP3.07
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
1-[4-[benzyl(methyl)amino]piperidin-1-yl]-2-chloroethanone
CID 66567050
N-benzyl-1-[(2-chlorophenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 17369338
N-benzyl-N-methyl-1-[(3-methylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 17369343
2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 66567107
N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 2910855
1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea
CID 111751499
N-(1-cyclopentylpiperidin-4-yl)-2-phenyl-N-pyrimidin-2-ylacetamide
CID 21315846
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693651
1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
CID 17369286
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]but-2-yn-1-one
CID 42508292

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid?
The IUPAC name of N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid (CID 17369346) is N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid.
What is the SMILES notation for N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid?
The canonical SMILES for N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid is CN(Cc1ccccc1)C1CCN(C2CCCCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid?
The InChIKey is GSQVBBLBGWOIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2.C2H2O4/c1-20(16-17-8-4-2-5-9-17)18-12-14-21(15-13-18)19-10-6-3-7-11-19;3-1(4)2(5)6/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid?
N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid has a molecular weight of 376.50 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid is sourced from PubChem (CID 17369346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).