tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate

C19H26N4O2 — CID 138048047

IUPACtert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2nccc3cc(N)ccc23)CC1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)22-15-7-10-23(11-8-15)17-16-5-4-14(20)12-13(16)6-9-21-17/h4-6,9,12,15H,7-8,10-11,20H2,1-3H3,(H,22,24)
InChIKeyZPSAXAXMTMCPAI-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.31
Rot. Bonds2

About tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate (PubChem CID 138048047) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate
PubChem CID138048047
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Nametert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2nccc3cc(N)ccc23)CC1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)22-15-7-10-23(11-8-15)17-16-5-4-14(20)12-13(16)6-9-21-17/h4-6,9,12,15H,7-8,10-11,20H2,1-3H3,(H,22,24)
InChIKeyZPSAXAXMTMCPAI-UHFFFAOYSA-N
XLogP3.31
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3R)-1-[6-[[(E)-but-2-enoyl]amino]isoquinolin-1-yl]pyrrolidin-3-yl]carbamate
CID 163288765
tert-butyl N-[1-(4-amino-2-methylphenyl)piperidin-4-yl]carbamate
CID 142621531
tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate
CID 143371287
tert-butyl N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]carbamate
CID 86656708
tert-butyl N-[1-[3,4-bis(methylideneamino)-2-pyridinyl]piperidin-4-yl]carbamate
CID 145101547
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778
tert-butyl N-[(3R)-1-[6-amino-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinolin-1-yl]pyrrolidin-3-yl]carbamate
CID 163288774
tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
CID 91811841
tert-butyl N-[1-(3-amino-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]carbamate
CID 140784287
tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 121204853
propyl N-(1-isoquinolin-1-ylpiperidin-4-yl)carbamate
CID 174501315
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate (CID 138048047) is tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2nccc3cc(N)ccc23)CC1.
What is the InChIKey of tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate?
The InChIKey is ZPSAXAXMTMCPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)22-15-7-10-23(11-8-15)17-16-5-4-14(20)12-13(16)6-9-21-17/h4-6,9,12,15H,7-8,10-11,20H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate has a molecular weight of 342.44 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 138048047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).