tert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate

C21H30N2O2 — CID 175286525

IUPACtert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(C2CC2)C1(c1ccccc1)C1CC1
InChIInChI=1S/C21H30N2O2/c1-20(2,3)25-19(24)23-14-13-22-18(15-9-10-15)21(23,17-11-12-17)16-7-5-4-6-8-16/h4-8,15,17-18,22H,9-14H2,1-3H3
InChIKeyWDMPYXJTXWXGIT-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.91
Rot. Bonds3

About tert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate

tert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate (PubChem CID 175286525) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is tert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate
PubChem CID175286525
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Nametert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(C2CC2)C1(c1ccccc1)C1CC1
InChIInChI=1S/C21H30N2O2/c1-20(2,3)25-19(24)23-14-13-22-18(15-9-10-15)21(23,17-11-12-17)16-7-5-4-6-8-16/h4-8,15,17-18,22H,9-14H2,1-3H3
InChIKeyWDMPYXJTXWXGIT-UHFFFAOYSA-N
XLogP3.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(2-phenyloxiran-2-yl)piperidine-1-carboxylate
CID 102537824
tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate
CID 102345334
tert-butyl 5-phenyl-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 165341918
tert-butyl 2-methyl-2-phenylazepane-1-carboxylate
CID 135033621
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
tert-butyl (2R)-2-benzyl-5-methylpyrrolidine-1-carboxylate
CID 143159528
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-3-sulfanylidenepyrrolidine-2-carboxylic acid
CID 22868582
tert-butyl (2S)-2-benzoylazetidine-1-carboxylate
CID 137368495
tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate
CID 20870871
tert-butyl 2-methyl-4-oxo-2-phenylpyrrolidine-1-carboxylate
CID 86605055
tert-butyl 2,2-difluoro-3-(fluoromethyl)-3-phenylpiperidine-1-carboxylate
CID 135390683
tert-butyl 1-benzoyl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 67286302

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate (CID 175286525) is tert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC(C2CC2)C1(c1ccccc1)C1CC1.
What is the InChIKey of tert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate?
The InChIKey is WDMPYXJTXWXGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-20(2,3)25-19(24)23-14-13-22-18(15-9-10-15)21(23,17-11-12-17)16-7-5-4-6-8-16/h4-8,15,17-18,22H,9-14H2,1-3H3.
What are the key properties of tert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate?
tert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate has a molecular weight of 342.48 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3-dicyclopropyl-2-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 175286525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).