tert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate

C17H27N3O2 — CID 69046351

IUPACtert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate
SMILESCc1ccc(N(C(=O)OC(C)(C)C)C2CCNCC2)c(N)c1
InChIInChI=1S/C17H27N3O2/c1-12-5-6-15(14(18)11-12)20(13-7-9-19-10-8-13)16(21)22-17(2,3)4/h5-6,11,13,19H,7-10,18H2,1-4H3
InChIKeyXJJJEZRSCNHGAE-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.07
Rot. Bonds2

About tert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate

tert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate (PubChem CID 69046351) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate
PubChem CID69046351
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate
SMILESCc1ccc(N(C(=O)OC(C)(C)C)C2CCNCC2)c(N)c1
InChIInChI=1S/C17H27N3O2/c1-12-5-6-15(14(18)11-12)20(13-7-9-19-10-8-13)16(21)22-17(2,3)4/h5-6,11,13,19H,7-10,18H2,1-4H3
InChIKeyXJJJEZRSCNHGAE-UHFFFAOYSA-N
XLogP3.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate
CID 69045153
tert-butyl N-[(4-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 175016181
tert-butyl N-(2-chloro-7-methylquinazolin-4-yl)-N-pyrrolidin-3-ylcarbamate
CID 87757796
tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 129353875
tert-butyl N-[(3-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 69427895
tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate
CID 156774724
tert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate
CID 70234918
tert-butyl N-cyclopropyl-N-(2-ethynylphenyl)carbamate
CID 175318373
tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate
CID 154998041
tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate
CID 166765265
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate
CID 71742918
tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 66569336

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate (CID 69046351) is tert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate is Cc1ccc(N(C(=O)OC(C)(C)C)C2CCNCC2)c(N)c1.
What is the InChIKey of tert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate?
The InChIKey is XJJJEZRSCNHGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-5-6-15(14(18)11-12)20(13-7-9-19-10-8-13)16(21)22-17(2,3)4/h5-6,11,13,19H,7-10,18H2,1-4H3.
What are the key properties of tert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate?
tert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate has a molecular weight of 305.42 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-4-methylphenyl)-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 69046351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).