tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate

C16H32N2O5 — CID 106992256

IUPACtert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate
SMILESCOCC(C)OCC(O)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O5/c1-13(11-21-5)22-12-14(19)10-17-6-8-18(9-7-17)15(20)23-16(2,3)4/h13-14,19H,6-12H2,1-5H3
InChIKeyNSJSMVDSQHYUEM-UHFFFAOYSA-N
MW332.44 g/mol
LogP0.95
Rot. Bonds7

About tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate

tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate (PubChem CID 106992256) has the molecular formula C16H32N2O5 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate
PubChem CID106992256
Molecular FormulaC16H32N2O5
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC Nametert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate
SMILESCOCC(C)OCC(O)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O5/c1-13(11-21-5)22-12-14(19)10-17-6-8-18(9-7-17)15(20)23-16(2,3)4/h13-14,19H,6-12H2,1-5H3
InChIKeyNSJSMVDSQHYUEM-UHFFFAOYSA-N
XLogP0.95
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 5201202
Tert-butyl 4-(2-(2-hydroxyethoxy)ethyl)piperazine-1-carboxylate
CID 53973455
(R)-N-Boc-2-hydroxymethylmorpholine
CID 1512576
tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 1512577
tert-Butyl 4-(2-hydroxypropyl)piperazine-1-carboxylate
CID 52984109
tert-butyl (6S)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate
CID 68310116
tert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate
CID 90213225
N-T-Boc-(2R)-Hydroxymethyl-(5R)-Methylmorpholine
CID 90317136
tert-butyl (2R)-2-(hydroxymethyl)-5,5-dimethylmorpholine-4-carboxylate
CID 91828168
N-t-BOC-(2S)-(Hydroxymethyl)-5,5-Dimethylmorpholine
CID 91828170
Ethyl 4-[2-hydroxy-3-(tert-pentyloxy)propyl]-1-piperazinecarboxylate
CID 16958189
tert-butyl N-[2-[[(2R)-2-hydroxy-3-(2,2,2-trifluoroethoxy)propyl]-methylamino]ethyl]-N-methylcarbamate
CID 118190486

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate (CID 106992256) is tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate is COCC(C)OCC(O)CN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate?
The InChIKey is NSJSMVDSQHYUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O5/c1-13(11-21-5)22-12-14(19)10-17-6-8-18(9-7-17)15(20)23-16(2,3)4/h13-14,19H,6-12H2,1-5H3.
What are the key properties of tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate?
tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate is sourced from PubChem (CID 106992256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).