tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate

C19H31N3O2 — CID 59843161

IUPACtert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate
SMILESCN(CCN1CCC(c2ccc(N)cc2)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H31N3O2/c1-19(2,3)24-18(23)21(4)13-14-22-11-9-16(10-12-22)15-5-7-17(20)8-6-15/h5-8,16H,9-14,20H2,1-4H3
InChIKeyOLXDTXUOOKPFRP-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.32
Rot. Bonds4

About tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate

tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate (PubChem CID 59843161) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate
PubChem CID59843161
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Nametert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate
SMILESCN(CCN1CCC(c2ccc(N)cc2)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H31N3O2/c1-19(2,3)24-18(23)21(4)13-14-22-11-9-16(10-12-22)15-5-7-17(20)8-6-15/h5-8,16H,9-14,20H2,1-4H3
InChIKeyOLXDTXUOOKPFRP-UHFFFAOYSA-N
XLogP3.32
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
CID 176742069
tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate
CID 10083475
tert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate
CID 145463354
tert-butyl N-[2-[4-[2-(2-methoxyphenyl)-1H-benzimidazol-4-yl]piperidin-1-yl]ethyl]-N-methylcarbamate
CID 69300917
tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
CID 107245207
tert-butyl (2R,4R)-4-(4-aminophenyl)-2-methylpiperidine-1-carboxylate
CID 97305072
[3-(4-aminophenyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174680963
tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate
CID 59464204
tert-butyl N-[2-(4-amino-N-methylsulfanylanilino)ethyl]-N-methylcarbamate
CID 155431664
tert-butyl N-methyl-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]carbamate
CID 167614379
ethyl 1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxylate
CID 59843232
tert-butyl N-[2-[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-N-methylcarbamate
CID 111732085

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate (CID 59843161) is tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate is CN(CCN1CCC(c2ccc(N)cc2)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate?
The InChIKey is OLXDTXUOOKPFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-19(2,3)24-18(23)21(4)13-14-22-11-9-16(10-12-22)15-5-7-17(20)8-6-15/h5-8,16H,9-14,20H2,1-4H3.
What are the key properties of tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate has a molecular weight of 333.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 59843161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).