tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate

C16H25N3O2 — CID 107240213

IUPACtert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NC1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-14-7-5-4-6-13(14)18-12-8-10-17-11-9-12/h4-7,12,17-18H,8-11H2,1-3H3,(H,19,20)
InChIKeyKININWRHZSPACN-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.20
Rot. Bonds3

About tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate

tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate (PubChem CID 107240213) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
PubChem CID107240213
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NC1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-14-7-5-4-6-13(14)18-12-8-10-17-11-9-12/h4-7,12,17-18H,8-11H2,1-3H3,(H,19,20)
InChIKeyKININWRHZSPACN-UHFFFAOYSA-N
XLogP3.20
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
CID 107240278
tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate
CID 68961364
tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate
CID 107240241
tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate
CID 83902120
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107240249
tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
CID 90064993
tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
CID 107240333
tert-butyl N-[2-(azetidin-2-ylmethyl)phenyl]carbamate
CID 84710803
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate
CID 86775642
tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate
CID 107247266
tert-butyl N-(2-piperidin-2-ylphenyl)carbamate
CID 45357060

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate (CID 107240213) is tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1NC1CCNCC1.
What is the InChIKey of tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate?
The InChIKey is KININWRHZSPACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-14-7-5-4-6-13(14)18-12-8-10-17-11-9-12/h4-7,12,17-18H,8-11H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate?
tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate has a molecular weight of 291.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate is sourced from PubChem (CID 107240213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).