methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate

C14H20N2O2 — CID 91798628

IUPACmethyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1(N)CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C14H20N2O2/c1-11-3-5-12(6-4-11)16-9-7-14(15,8-10-16)13(17)18-2/h3-6H,7-10,15H2,1-2H3
InChIKeyAQPUAYFUIVVLEZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.47
Rot. Bonds2

About methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate

methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate (PubChem CID 91798628) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate
PubChem CID91798628
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1(N)CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C14H20N2O2/c1-11-3-5-12(6-4-11)16-9-7-14(15,8-10-16)13(17)18-2/h3-6H,7-10,15H2,1-2H3
InChIKeyAQPUAYFUIVVLEZ-UHFFFAOYSA-N
XLogP1.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate;hydrochloride
CID 91798629
methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride
CID 91798655
4-amino-1-(4-methylphenyl)piperidine-4-carboxylic acid;8-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 160939165
methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride
CID 21469156
dimethyl 4-aminopiperidine-1,4-dicarboxylate
CID 131627153
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
4,4-difluoro-1-(4-methylphenyl)piperidine;ethane
CID 145061539
[4-amino-1-(4-methylphenyl)azepan-4-yl]methanol
CID 115040445
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
methyl 1-(4-chlorophenyl)-3-hydroxypyrrolidine-3-carboxylate
CID 122579158
methyl 1-phenyl-4-(prop-2-ynylamino)piperidine-4-carboxylate
CID 106820622
methyl 3-amino-4-[4-(4-methylphenyl)piperazin-1-yl]benzoate
CID 53213974

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate?
The IUPAC name of methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate (CID 91798628) is methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate is COC(=O)C1(N)CCN(c2ccc(C)cc2)CC1.
What is the InChIKey of methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate?
The InChIKey is AQPUAYFUIVVLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-3-5-12(6-4-11)16-9-7-14(15,8-10-16)13(17)18-2/h3-6H,7-10,15H2,1-2H3.
What are the key properties of methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate?
methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate is sourced from PubChem (CID 91798628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).