tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate

C18H34N2O2 — CID 71134902

IUPACtert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate
SMILESCC(C)CC1(N2CCN(C(=O)OC(C)(C)C)CC2)CCCC1
InChIInChI=1S/C18H34N2O2/c1-15(2)14-18(8-6-7-9-18)20-12-10-19(11-13-20)16(21)22-17(3,4)5/h15H,6-14H2,1-5H3
InChIKeyIEJYOUIOMQLLFV-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.90
Rot. Bonds3

About tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate

tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate (PubChem CID 71134902) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate
PubChem CID71134902
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate
SMILESCC(C)CC1(N2CCN(C(=O)OC(C)(C)C)CC2)CCCC1
InChIInChI=1S/C18H34N2O2/c1-15(2)14-18(8-6-7-9-18)20-12-10-19(11-13-20)16(21)22-17(3,4)5/h15H,6-14H2,1-5H3
InChIKeyIEJYOUIOMQLLFV-UHFFFAOYSA-N
XLogP3.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[4-(2-methylpropyl)-1,1-dioxothian-4-yl]piperazine-1-carboxylate
CID 71131651
tert-butyl 4-(4-ethylpiperidin-4-yl)-1,4-diazepane-1-carboxylate
CID 125453929
ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 159738289
tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate
CID 160869586
tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate
CID 115750820
tert-butyl 3-ethyl-3-piperidin-1-ylpiperidine-1-carboxylate
CID 165471272
tert-butyl 4-[1-[4-[(1S)-1-aminoethyl]phenyl]cyclopentyl]piperazine-1-carboxylate
CID 167242406
tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate
CID 170341437
tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate
CID 104956396
tert-butyl 4-hydroxy-4-[[methyl(2-methylpropyl)amino]methyl]piperidine-1-carboxylate
CID 67650801
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate (CID 71134902) is tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate is CC(C)CC1(N2CCN(C(=O)OC(C)(C)C)CC2)CCCC1.
What is the InChIKey of tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate?
The InChIKey is IEJYOUIOMQLLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-15(2)14-18(8-6-7-9-18)20-12-10-19(11-13-20)16(21)22-17(3,4)5/h15H,6-14H2,1-5H3.
What are the key properties of tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate?
tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate has a molecular weight of 310.48 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate is sourced from PubChem (CID 71134902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).