[4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate

C17H27N3O2 — CID 150487503

IUPAC[4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate
SMILESCC(C)(CCC1CCN(c2ccc(N)cc2)CC1)OC(N)=O
InChIInChI=1S/C17H27N3O2/c1-17(2,22-16(19)21)10-7-13-8-11-20(12-9-13)15-5-3-14(18)4-6-15/h3-6,13H,7-12,18H2,1-2H3,(H2,19,21)
InChIKeyHVCGNSPYDKPULY-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.14
Rot. Bonds5

About [4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate

[4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate (PubChem CID 150487503) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate
PubChem CID150487503
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name[4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate
SMILESCC(C)(CCC1CCN(c2ccc(N)cc2)CC1)OC(N)=O
InChIInChI=1S/C17H27N3O2/c1-17(2,22-16(19)21)10-7-13-8-11-20(12-9-13)15-5-3-14(18)4-6-15/h3-6,13H,7-12,18H2,1-2H3,(H2,19,21)
InChIKeyHVCGNSPYDKPULY-UHFFFAOYSA-N
XLogP3.14
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-methyl-4-[1-(4-nitrophenyl)piperidin-4-yl]butan-2-yl] carbamate
CID 150472340
ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate
CID 1472673
tert-butyl N-[[1-[[1-(4-aminophenyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]carbamate
CID 171652249
tert-butyl 1-(4-aminophenyl)pyrrolidine-3-carboxylate
CID 142654201
4-[4-(2-piperidin-4-yloxyethyl)piperidin-1-yl]aniline
CID 164897596
4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline
CID 89182130
tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate
CID 86661351
tert-butyl 4-(4-aminopiperidin-1-yl)benzoate
CID 22557720
4-N-[3-[1-(4-aminophenyl)piperidin-4-yl]propyl]-4-N-methylbenzene-1,4-diamine;ethane
CID 144968745
4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline
CID 146239607
1-[4-(4-aminophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43461583
1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol
CID 159231607

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate?
The IUPAC name of [4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate (CID 150487503) is [4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate.
What is the SMILES notation for [4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate?
The canonical SMILES for [4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate is CC(C)(CCC1CCN(c2ccc(N)cc2)CC1)OC(N)=O.
What is the InChIKey of [4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate?
The InChIKey is HVCGNSPYDKPULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,22-16(19)21)10-7-13-8-11-20(12-9-13)15-5-3-14(18)4-6-15/h3-6,13H,7-12,18H2,1-2H3,(H2,19,21).
What are the key properties of [4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate?
[4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-aminophenyl)piperidin-4-yl]-2-methylbutan-2-yl] carbamate is sourced from PubChem (CID 150487503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).