tert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate

C19H24BrN3O2 — CID 67309200

IUPACtert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2ccnc3ccc(Br)cc23)C1
InChIInChI=1S/C19H24BrN3O2/c1-19(2,3)25-18(24)22-14-5-4-10-23(12-14)17-8-9-21-16-7-6-13(20)11-15(16)17/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,22,24)
InChIKeyKSYBMQZWIBWHGO-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.49
Rot. Bonds2

About tert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate

tert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate (PubChem CID 67309200) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is tert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate
PubChem CID67309200
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Nametert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2ccnc3ccc(Br)cc23)C1
InChIInChI=1S/C19H24BrN3O2/c1-19(2,3)25-18(24)22-14-5-4-10-23(12-14)17-8-9-21-16-7-6-13(20)11-15(16)17/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,22,24)
InChIKeyKSYBMQZWIBWHGO-UHFFFAOYSA-N
XLogP4.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate (CID 67309200) is tert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(c2ccnc3ccc(Br)cc23)C1.
What is the InChIKey of tert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate?
The InChIKey is KSYBMQZWIBWHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c1-19(2,3)25-18(24)22-14-5-4-10-23(12-14)17-8-9-21-16-7-6-13(20)11-15(16)17/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate?
tert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate has a molecular weight of 406.32 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-bromoquinolin-4-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 67309200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).