methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate

C21H26N2O2 — CID 137470993

IUPACmethyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(N)C1Cc1cccc(-c2ccc(C)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-15-8-10-17(11-9-15)18-6-3-5-16(13-18)14-20-19(22)7-4-12-23(20)21(24)25-2/h3,5-6,8-11,13,19-20H,4,7,12,14,22H2,1-2H3
InChIKeyAANVYQHYVFGGKP-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.76
Rot. Bonds3

About methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate

methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate (PubChem CID 137470993) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
PubChem CID137470993
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Namemethyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(N)C1Cc1cccc(-c2ccc(C)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-15-8-10-17(11-9-15)18-6-3-5-16(13-18)14-20-19(22)7-4-12-23(20)21(24)25-2/h3,5-6,8-11,13,19-20H,4,7,12,14,22H2,1-2H3
InChIKeyAANVYQHYVFGGKP-UHFFFAOYSA-N
XLogP3.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137470985
methyl 3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137461118
methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137462046
3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid
CID 154960242
methyl (2R,3R)-3-(methanesulfonamido)-2-[(3-pyridin-4-ylphenyl)methyl]piperidine-1-carboxylate
CID 137461805
methyl 3-(methanesulfonamido)-2-[[3-(2-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137462140
2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137460911
cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461385
2-methylpropyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461277
phenyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461708
cyclopropyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461302
2,2-difluoroethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137462199

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate (CID 137470993) is methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate is COC(=O)N1CCCC(N)C1Cc1cccc(-c2ccc(C)cc2)c1.
What is the InChIKey of methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate?
The InChIKey is AANVYQHYVFGGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-8-10-17(11-9-15)18-6-3-5-16(13-18)14-20-19(22)7-4-12-23(20)21(24)25-2/h3,5-6,8-11,13,19-20H,4,7,12,14,22H2,1-2H3.
What are the key properties of methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate?
methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate has a molecular weight of 338.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 137470993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).