tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate

C14H26N2O3 — CID 82123805

IUPACtert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2CCCC2O)CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-9-7-15(8-10-16)11-5-4-6-12(11)17/h11-12,17H,4-10H2,1-3H3
InChIKeyRQLBIHRARSYBIZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.45
Rot. Bonds1

About tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate

tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate (PubChem CID 82123805) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate
PubChem CID82123805
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2CCCC2O)CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-9-7-15(8-10-16)11-5-4-6-12(11)17/h11-12,17H,4-10H2,1-3H3
InChIKeyRQLBIHRARSYBIZ-UHFFFAOYSA-N
XLogP1.45
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-hydroxycyclohexyl)-1,4-diazepane-1-carboxylate
CID 115772291
tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate
CID 129462828
tert-butyl (4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)azepane-1-carboxylate
CID 166011978
tert-butyl 4-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazine-1-carboxylate
CID 29105261
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
tert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 82380727
tert-butyl (4R,5R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyazepane-1-carboxylate
CID 168859638
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
CID 124523424
tert-butyl (5Z)-2,3,4,7,8,9-hexahydroazonine-1-carboxylate
CID 15418755
tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate
CID 97226565
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 95758980

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate (CID 82123805) is tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C2CCCC2O)CC1.
What is the InChIKey of tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate?
The InChIKey is RQLBIHRARSYBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-9-7-15(8-10-16)11-5-4-6-12(11)17/h11-12,17H,4-10H2,1-3H3.
What are the key properties of tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate?
tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate is sourced from PubChem (CID 82123805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).