tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate

C14H21N3O2 — CID 11673373

IUPACtert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-9-7-16(8-10-17)12-5-4-6-15-11-12/h4-6,11H,7-10H2,1-3H3
InChIKeyLZHMIBDVBBRGDF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.14
Rot. Bonds1

About tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate

tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate (PubChem CID 11673373) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
PubChem CID11673373
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nametert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-9-7-16(8-10-17)12-5-4-6-15-11-12/h4-6,11H,7-10H2,1-3H3
InChIKeyLZHMIBDVBBRGDF-UHFFFAOYSA-N
XLogP2.14
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate
CID 21334263
tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 70570904
tert-butyl 4-(3-chlorophenyl)piperazine-1-carboxylate;ethane
CID 178158418
tert-butyl piperidine-1-carboxylate;pyridin-3-amine
CID 172593579
tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate
CID 59511347
tert-butyl 4-(3-pyrrolidin-1-ylphenyl)-1,4-diazepane-1-carboxylate
CID 163229877
tert-butyl (4S)-4-[[(R)-tert-butylsulfinyl]amino]-2-pyridin-3-yl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 155591715
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate;ethane
CID 156798550
tert-butyl 4-(4-methylphenyl)piperazine-1-carboxylate;methane
CID 167653835
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-[3-(bromomethyl)phenyl]piperazine-1-carboxylate
CID 118989347

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate (CID 11673373) is tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cccnc2)CC1.
What is the InChIKey of tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate?
The InChIKey is LZHMIBDVBBRGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-9-7-16(8-10-17)12-5-4-6-15-11-12/h4-6,11H,7-10H2,1-3H3.
What are the key properties of tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate?
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate is sourced from PubChem (CID 11673373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).