tert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate

C19H30N2O2 — CID 115059177

IUPACtert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate
SMILESCc1cccc(C2(CCN)CCCCN2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H30N2O2/c1-15-8-7-9-16(14-15)19(11-12-20)10-5-6-13-21(19)17(22)23-18(2,3)4/h7-9,14H,5-6,10-13,20H2,1-4H3
InChIKeySZJZRTPEEZQUKY-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.96
Rot. Bonds3

About tert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate

tert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate (PubChem CID 115059177) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate
PubChem CID115059177
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate
SMILESCc1cccc(C2(CCN)CCCCN2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H30N2O2/c1-15-8-7-9-16(14-15)19(11-12-20)10-5-6-13-21(19)17(22)23-18(2,3)4/h7-9,14H,5-6,10-13,20H2,1-4H3
InChIKeySZJZRTPEEZQUKY-UHFFFAOYSA-N
XLogP3.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate
CID 115059171
tert-butyl 2-(2-aminoethyl)-2-(2-methylphenyl)pyrrolidine-1-carboxylate
CID 115059166
tert-butyl 2-(2,3-difluorophenyl)-2-(fluoromethyl)piperidine-1-carboxylate
CID 135390684
tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate
CID 102345334
tert-butyl 2-(4-amino-3-propan-2-yloxyphenyl)-2-ethylpiperidine-1-carboxylate
CID 150694726
tert-butyl 2-methyl-2-phenylazepane-1-carboxylate
CID 135033621
tert-butyl 2-amino-2-methylpiperidine-1-carboxylate
CID 69118170
tert-butyl 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine-1-carboxylate
CID 19960250
tert-butyl 2,2-difluoro-3-(fluoromethyl)-3-phenylpiperidine-1-carboxylate
CID 135390683
2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 152697309
tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene
CID 143255426
tert-butyl (2R)-2-(hydroxymethyl)-2-methylazepane-1-carboxylate
CID 129462520

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate (CID 115059177) is tert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate is Cc1cccc(C2(CCN)CCCCN2C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate?
The InChIKey is SZJZRTPEEZQUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15-8-7-9-16(14-15)19(11-12-20)10-5-6-13-21(19)17(22)23-18(2,3)4/h7-9,14H,5-6,10-13,20H2,1-4H3.
What are the key properties of tert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate?
tert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate has a molecular weight of 318.46 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-aminoethyl)-2-(3-methylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 115059177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).