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

C14H21ClN2O2 — CID 91798629

IUPACmethyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CCN(c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C14H20N2O2.ClH/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;1H
InChIKeyLDNYQGCXDXHLSH-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.89
Rot. Bonds2

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

methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate;hydrochloride (PubChem CID 91798629) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate;hydrochloride
PubChem CID91798629
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Namemethyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CCN(c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C14H20N2O2.ClH/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;1H
InChIKeyLDNYQGCXDXHLSH-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.89
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
CID 91798628
methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride
CID 91798655
methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride
CID 21469156
4-amino-1-(4-methylphenyl)piperidine-4-carboxylic acid;8-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 160939165
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;hydrochloride?
The IUPAC name of methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate;hydrochloride (CID 91798629) is methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate;hydrochloride is COC(=O)C1(N)CCN(c2ccc(C)cc2)CC1.Cl.
What is the InChIKey of methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate;hydrochloride?
The InChIKey is LDNYQGCXDXHLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/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;1H.
What are the key properties of methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate;hydrochloride?
methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.89, 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;hydrochloride is sourced from PubChem (CID 91798629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).