tert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate

C16H30N2O3 — CID 58786728

IUPACtert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(CO)C2CCCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14(12-19)13-6-4-5-7-13/h13-14,19H,4-12H2,1-3H3
InChIKeyOKRSLYHSKLWMAS-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.09
Rot. Bonds3

About tert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate

tert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate (PubChem CID 58786728) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate
PubChem CID58786728
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(CO)C2CCCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14(12-19)13-6-4-5-7-13/h13-14,19H,4-12H2,1-3H3
InChIKeyOKRSLYHSKLWMAS-UHFFFAOYSA-N
XLogP2.09
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6S)-tert-Butyl 2-(hydroxymethyl)-6-methylpiperidine-1-carboxylate
CID 15683644
tert-butyl (2R,4R)-2-(hydroxymethyl)-4-methyl-piperidine-1-carboxylate
CID 23628436
1,1-Dimethylethyl (1S,3R,4R)-3-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 10966233
tert-Butyl 3-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 54775395
(2s,6r)-N-t-butoxycarbonyl-2-hydroxymethyl-6-methylpiperidine
CID 129710547
rac-tert-butyl (2R,6R)-2-(hydroxymethyl)-6-methylpiperidine-1-carboxylate
CID 129710560
(2s,6s)-N-t-butoxycarbonyl-2-hydroxymethyl-6-methylpiperidine
CID 129710580
(2s,3s)-1-(t-Butoxycarbonyl)-3-hydroxy-2-(1-hydroxycyclopentyl)piperidine
CID 129822597
(4R)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 102274738
(4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 102274739
tert-Butyl (1R,3R,4S)-3-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 51016527
4-(1-Cyclohexyl-2-hydroxy-ethyl)-piperazine-1-carboxylic acid tert-butyl ester
CID 58786406

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate (CID 58786728) is tert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(CO)C2CCCC2)CC1.
What is the InChIKey of tert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate?
The InChIKey is OKRSLYHSKLWMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14(12-19)13-6-4-5-7-13/h13-14,19H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate?
tert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate is sourced from PubChem (CID 58786728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).