tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride

C12H25ClN2O2 — CID 45073237

IUPACtert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride
SMILESCCCC1CNCCN1C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-5-6-10-9-13-7-8-14(10)11(15)16-12(2,3)4;/h10,13H,5-9H2,1-4H3;1H
InChIKeyLZARVVALJLDDLV-UHFFFAOYSA-N
MW264.80 g/mol
LogP2.42
Rot. Bonds2

About tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride

tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride (PubChem CID 45073237) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride
PubChem CID45073237
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Nametert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride
SMILESCCCC1CNCCN1C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-5-6-10-9-13-7-8-14(10)11(15)16-12(2,3)4;/h10,13H,5-9H2,1-4H3;1H
InChIKeyLZARVVALJLDDLV-UHFFFAOYSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229
tert-butyl 2-prop-2-ynylpiperazine-1-carboxylate
CID 141100068
tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate
CID 156743978
tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate
CID 67773623
tert-butyl 2-(2,2-difluoroethyl)piperazine-1-carboxylate
CID 84707228
tert-butyl (2R)-2-(methylsulfonylmethyl)piperazine-1-carboxylate
CID 164740203
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354
tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate
CID 175607983
tert-butyl 7-(hydroxymethyl)-1,4-diazepane-1-carboxylate
CID 178201698
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl 2-methoxypiperazine-1-carboxylate
CID 101126129

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride (CID 45073237) is tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride is CCCC1CNCCN1C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride?
The InChIKey is LZARVVALJLDDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-5-6-10-9-13-7-8-14(10)11(15)16-12(2,3)4;/h10,13H,5-9H2,1-4H3;1H.
What are the key properties of tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride?
tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 45073237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).