N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid

C20H28N4O2 — CID 154912859

IUPACN-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid
SMILESCCc1ncc(CNC2CCN(c3cccc(C)c3)CC2)cn1.O=CO
InChIInChI=1S/C19H26N4.CH2O2/c1-3-19-21-13-16(14-22-19)12-20-17-7-9-23(10-8-17)18-6-4-5-15(2)11-18;2-1-3/h4-6,11,13-14,17,20H,3,7-10,12H2,1-2H3;1H,(H,2,3)
InChIKeySSVQQTKIFHVNCI-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.81
Rot. Bonds5

About N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid

N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid (PubChem CID 154912859) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid.

Molecular Properties

Compound NameN-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid
PubChem CID154912859
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid
SMILESCCc1ncc(CNC2CCN(c3cccc(C)c3)CC2)cn1.O=CO
InChIInChI=1S/C19H26N4.CH2O2/c1-3-19-21-13-16(14-22-19)12-20-17-7-9-23(10-8-17)18-6-4-5-15(2)11-18;2-1-3/h4-6,11,13-14,17,20H,3,7-10,12H2,1-2H3;1H,(H,2,3)
InChIKeySSVQQTKIFHVNCI-UHFFFAOYSA-N
XLogP2.81
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)-N-propylpiperidin-4-amine
CID 43315485
N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine
CID 131924607
4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146150361
1-(3-methylphenyl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-amine
CID 131909862
formic acid;(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
CID 171689581
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 42689956
2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol
CID 56859608
N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine
CID 173207768
[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 61252606
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103096785

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid?
The IUPAC name of N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid (CID 154912859) is N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid.
What is the SMILES notation for N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid?
The canonical SMILES for N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid is CCc1ncc(CNC2CCN(c3cccc(C)c3)CC2)cn1.O=CO.
What is the InChIKey of N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid?
The InChIKey is SSVQQTKIFHVNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4.CH2O2/c1-3-19-21-13-16(14-22-19)12-20-17-7-9-23(10-8-17)18-6-4-5-15(2)11-18;2-1-3/h4-6,11,13-14,17,20H,3,7-10,12H2,1-2H3;1H,(H,2,3).
What are the key properties of N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid?
N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid has a molecular weight of 356.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid is sourced from PubChem (CID 154912859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).