tert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate

C17H26N2O3 — CID 45158849

IUPACtert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1COCc1ccccc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-9-18-11-15(19)13-21-12-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3
InChIKeyJCGBMAPLKMXMKO-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.41
Rot. Bonds4

About tert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate

tert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate (PubChem CID 45158849) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate
PubChem CID45158849
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1COCc1ccccc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-9-18-11-15(19)13-21-12-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3
InChIKeyJCGBMAPLKMXMKO-UHFFFAOYSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

AK 295
CID 183798
Benzyl piperazine-1-carboxylate
CID 643495
Benzyl 3-oxopiperazine-1-carboxylate
CID 736777
Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate
CID 294932
Benzyl (tert-butoxycarbonyl)glycylglycinate
CID 3244524
tert-butyl N-[(1S)-2-(benzyloxy)-1-[(cyanomethyl)carbamoyl]ethyl]carbamate
CID 11631355
Methyl 2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetate
CID 294920
Z-L-Abu-CONH(CH2)3-morpholine
CID 9827472
(2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-piperazine
CID 10687454
(2R,6S)-rel-Benzyl 2,6-dimethylpiperazine-1-carboxylate
CID 46884035
benzyl N-[(2S)-1-morpholin-4-yl-1-oxo-6-(prop-2-enoylamino)hexan-2-yl]carbamate
CID 71452147
(2-(2-Benzyloxycarbonylamino-ethoxy)-ethyl)-carbamic acid benzyl ester
CID 3090849

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate (CID 45158849) is tert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNCC1COCc1ccccc1.
What is the InChIKey of tert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate?
The InChIKey is JCGBMAPLKMXMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-9-18-11-15(19)13-21-12-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3.
What are the key properties of tert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate?
tert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(phenylmethoxymethyl)piperazine-1-carboxylate is sourced from PubChem (CID 45158849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).