[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate

C14H22BrN5O2 — CID 123305693

IUPAC[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2nc(Br)cnc2N)CC1
InChIInChI=1S/C14H22BrN5O2/c1-14(2,3)19-13(21)22-9-4-6-20(7-5-9)12-11(16)17-8-10(15)18-12/h8-9H,4-7H2,1-3H3,(H2,16,17)(H,19,21)
InChIKeyRKWDDQWXNKZXFQ-UHFFFAOYSA-N
MW372.27 g/mol
LogP2.31
Rot. Bonds2

About [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate

[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate (PubChem CID 123305693) has the molecular formula C14H22BrN5O2 and a molecular weight of 372.27 g/mol. Its IUPAC name is [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate
PubChem CID123305693
Molecular FormulaC14H22BrN5O2
Molecular Weight372.27 g/mol
Exact Mass371.10
IUPAC Name[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2nc(Br)cnc2N)CC1
InChIInChI=1S/C14H22BrN5O2/c1-14(2,3)19-13(21)22-9-4-6-20(7-5-9)12-11(16)17-8-10(15)18-12/h8-9H,4-7H2,1-3H3,(H2,16,17)(H,19,21)
InChIKeyRKWDDQWXNKZXFQ-UHFFFAOYSA-N
XLogP2.31
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Tert-butoxycarbonylamino-4-methyl-1-(2-pyrazinyl)piperidine
CID 17860836
Tert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate
CID 18374657
1-Boc-4-(3-amino-6-bromopyrazin-2-YL)piperazine
CID 46864072
tert-butyl (2S)-2-[[(5-bromopyrazin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 58247487
tert-butyl (3R)-3-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 58303285
tert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate
CID 58303314
Tert-butyl 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylate
CID 58446968
Tert-butyl 3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate
CID 66670674
Tert-butyl 1-(6-(tributylstannyl)pyrazin-2-yl)piperidin-3-ylcarbamate
CID 67958112
Tert-butyl 1-(6-(trimethylstannyl)pyrazin-2-yl)piperidin-4-ylcarbamate
CID 67958144
N-[[1-(5-amino-2-pyrazinyl)-4-piperidinyl]methyl]carbamic acid 1,1-dimethylethyl ester
CID 68160905
4-Tert-butoxycarbonylamino-methyl-1-(2-pyrazinyl) piperidine
CID 69870118

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate?
The IUPAC name of [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate (CID 123305693) is [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCN(c2nc(Br)cnc2N)CC1.
What is the InChIKey of [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate?
The InChIKey is RKWDDQWXNKZXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5O2/c1-14(2,3)19-13(21)22-9-4-6-20(7-5-9)12-11(16)17-8-10(15)18-12/h8-9H,4-7H2,1-3H3,(H2,16,17)(H,19,21).
What are the key properties of [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate?
[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate has a molecular weight of 372.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 123305693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).