formic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline

C14H22N2O2 — CID 170585614

IUPACformic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline
SMILESCc1cc(N)ccc1C1CCN(C)CC1.O=CO
InChIInChI=1S/C13H20N2.CH2O2/c1-10-9-12(14)3-4-13(10)11-5-7-15(2)8-6-11;2-1-3/h3-4,9,11H,5-8,14H2,1-2H3;1H,(H,2,3)
InChIKeyUDTGBDRLWRNQFA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.09
Rot. Bonds1

About formic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline

formic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline (PubChem CID 170585614) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is formic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline.

Molecular Properties

Compound Nameformic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline
PubChem CID170585614
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameformic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline
SMILESCc1cc(N)ccc1C1CCN(C)CC1.O=CO
InChIInChI=1S/C13H20N2.CH2O2/c1-10-9-12(14)3-4-13(10)11-5-7-15(2)8-6-11;2-1-3/h3-4,9,11H,5-8,14H2,1-2H3;1H,(H,2,3)
InChIKeyUDTGBDRLWRNQFA-UHFFFAOYSA-N
XLogP2.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-methylpiperidin-4-yl)benzene-1,3-diamine
CID 142507693
2-[4-(4-amino-2-methylphenyl)piperidin-1-yl]acetamide
CID 57416139
3-[4-(4-amino-2-methylphenyl)piperidin-1-yl]propanenitrile
CID 89155225
4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline
CID 175810528
3-methyl-4-(1-methylpyrrolidin-3-yl)phenol
CID 156814350
3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
CID 22611495
3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline
CID 171834819
1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine
CID 138711170
N-(5-amino-2-methylphenyl)-4-methoxy-2-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidine-5-carboxamide
CID 171834868
3-chloro-4-(1-methylpiperidin-4-yl)phenol
CID 84690225
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide
CID 79741197
3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166468153

Frequently Asked Questions

What is the IUPAC name of formic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline?
The IUPAC name of formic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline (CID 170585614) is formic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline.
What is the SMILES notation for formic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline?
The canonical SMILES for formic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline is Cc1cc(N)ccc1C1CCN(C)CC1.O=CO.
What is the InChIKey of formic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline?
The InChIKey is UDTGBDRLWRNQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.CH2O2/c1-10-9-12(14)3-4-13(10)11-5-7-15(2)8-6-11;2-1-3/h3-4,9,11H,5-8,14H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline?
formic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline has a molecular weight of 250.34 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-methyl-4-(1-methylpiperidin-4-yl)aniline is sourced from PubChem (CID 170585614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).