2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate

C23H30N2O2 — CID 143935537

IUPAC2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN([C@@H](Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-19(2)18-27-23(26)25-15-13-24(14-16-25)22(21-11-7-4-8-12-21)17-20-9-5-3-6-10-20/h3-12,19,22H,13-18H2,1-2H3/t22-/m0/s1
InChIKeySGHJWACANBALBO-QFIPXVFZSA-N
MW366.51 g/mol
LogP4.38
Rot. Bonds6

About 2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate

2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate (PubChem CID 143935537) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate
PubChem CID143935537
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN([C@@H](Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-19(2)18-27-23(26)25-15-13-24(14-16-25)22(21-11-7-4-8-12-21)17-20-9-5-3-6-10-20/h3-12,19,22H,13-18H2,1-2H3/t22-/m0/s1
InChIKeySGHJWACANBALBO-QFIPXVFZSA-N
XLogP4.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocyclopentyl) 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate
CID 143935485
tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate
CID 51623312
2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 108567740
benzyl 4-[(1R)-3-methyl-2-oxo-1-phenylbutyl]piperazine-1-carboxylate
CID 59470746
tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate
CID 142661174
benzyl 4-[3-(2-methylpropoxy)-3-oxopropyl]piperazine-1-carboxylate
CID 131999377
tert-butyl 4-[1,2-bis(4-methoxyphenyl)ethyl]piperazine-1-carboxylate;ethane
CID 143935572
1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
CID 71276997
2-methylpropyl 4-(2-iodobenzoyl)piperazine-1-carboxylate
CID 55978583
2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate
CID 171072925
2-methylpropyl 4-(2-bromobenzoyl)piperazine-1-carboxylate
CID 108567870
2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate
CID 142773340

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate (CID 143935537) is 2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate is CC(C)COC(=O)N1CCN([C@@H](Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate?
The InChIKey is SGHJWACANBALBO-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-19(2)18-27-23(26)25-15-13-24(14-16-25)22(21-11-7-4-8-12-21)17-20-9-5-3-6-10-20/h3-12,19,22H,13-18H2,1-2H3/t22-/m0/s1.
What are the key properties of 2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate?
2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate has a molecular weight of 366.51 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate is sourced from PubChem (CID 143935537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).