tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate

C16H26N4O2 — CID 97175693

IUPACtert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate
SMILESC[C@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1cnccn1
InChIInChI=1S/C16H26N4O2/c1-12(14-11-17-7-8-18-14)19-13-5-9-20(10-6-13)15(21)22-16(2,3)4/h7-8,11-13,19H,5-6,9-10H2,1-4H3/t12-/m0/s1
InChIKeyDPOKJZXHWYPYPE-LBPRGKRZSA-N
MW306.41 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate (PubChem CID 97175693) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate
PubChem CID97175693
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate
SMILESC[C@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1cnccn1
InChIInChI=1S/C16H26N4O2/c1-12(14-11-17-7-8-18-14)19-13-5-9-20(10-6-13)15(21)22-16(2,3)4/h7-8,11-13,19H,5-6,9-10H2,1-4H3/t12-/m0/s1
InChIKeyDPOKJZXHWYPYPE-LBPRGKRZSA-N
XLogP2.53
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 97175478
tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate
CID 97175835
tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate
CID 71633662
tert-butyl 4-[[(1S)-1-pyridin-3-ylethyl]amino]azepane-1-carboxylate
CID 103982627
tert-butyl 4-[[methyl-[(1S)-1-pyrazin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175389
tert-butyl (3S)-3-[methyl(1-pyrazin-2-ylethyl)amino]pyrrolidine-1-carboxylate
CID 71633228
tert-butyl 4-[3-[(1S)-1-pyrazin-2-ylethoxy]propyl]piperidine-1-carboxylate
CID 97176061
tert-butyl (3R)-3-[[(1R)-1-pyrazin-2-ylethoxy]methyl]pyrrolidine-1-carboxylate
CID 97175928
tert-butyl 4-[1-(1-methylimidazol-2-yl)ethylamino]azepane-1-carboxylate
CID 102613499
tert-butyl 3-(1-pyrazin-2-ylethoxy)piperidine-1-carboxylate
CID 71633656
tert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97175736
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate (CID 97175693) is tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate is C[C@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1cnccn1.
What is the InChIKey of tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate?
The InChIKey is DPOKJZXHWYPYPE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(14-11-17-7-8-18-14)19-13-5-9-20(10-6-13)15(21)22-16(2,3)4/h7-8,11-13,19H,5-6,9-10H2,1-4H3/t12-/m0/s1.
What are the key properties of tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 97175693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).