ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate

C20H38N2O4 — CID 7058807

IUPACethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C[C@@H](O)COC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H38N2O4/c1-5-25-19(24)22-12-10-21(11-13-22)14-17(23)15-26-18-8-6-16(7-9-18)20(2,3)4/h16-18,23H,5-15H2,1-4H3/t16?,17-,18?/m1/s1
InChIKeyMVHXDCKVSPFTDX-LXPRWKDFSA-N
MW370.53 g/mol
LogP2.74
Rot. Bonds6

About ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate

ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate (PubChem CID 7058807) has the molecular formula C20H38N2O4 and a molecular weight of 370.53 g/mol. Its IUPAC name is ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate
PubChem CID7058807
Molecular FormulaC20H38N2O4
Molecular Weight370.53 g/mol
Exact Mass370.28
IUPAC Nameethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C[C@@H](O)COC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H38N2O4/c1-5-25-19(24)22-12-10-21(11-13-22)14-17(23)15-26-18-8-6-16(7-9-18)20(2,3)4/h16-18,23H,5-15H2,1-4H3/t16?,17-,18?/m1/s1
InChIKeyMVHXDCKVSPFTDX-LXPRWKDFSA-N
XLogP2.74
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[(2S)-2-hydroxy-3-[(1R,2S)-2-methylcyclopentyl]oxypropyl]piperazine-1-carboxylate
CID 29132274
ethyl 4-[(2S)-2-hydroxy-3-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxypropyl]piperazine-1-carboxylate
CID 7058801
1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol
CID 3403019
(2R)-1-(4-tert-butylcyclohexyl)oxy-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 34886857
ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
CID 85186263
ethyl 4-[(2S)-2-hydroxy-3-[(3R)-3-methylpent-1-yn-3-yl]oxypropyl]piperazine-1-carboxylate
CID 42589276
4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid
CID 114011847
ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
(2S)-1-(4-tert-butylcyclohexyl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 2134592
(2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 30726287
ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate
CID 56777653
(2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 1120303

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate (CID 7058807) is ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C[C@@H](O)COC2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate?
The InChIKey is MVHXDCKVSPFTDX-LXPRWKDFSA-N. The full InChI is InChI=1S/C20H38N2O4/c1-5-25-19(24)22-12-10-21(11-13-22)14-17(23)15-26-18-8-6-16(7-9-18)20(2,3)4/h16-18,23H,5-15H2,1-4H3/t16?,17-,18?/m1/s1.
What are the key properties of ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate?
ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate has a molecular weight of 370.53 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate is sourced from PubChem (CID 7058807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).