ethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate

C19H38N2O3 — CID 142156800

IUPACethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate
SMILESCC.CC(C)OC(=O)N1CCN(C(CO)CC2CCCCC2)CC1
InChIInChI=1S/C17H32N2O3.C2H6/c1-14(2)22-17(21)19-10-8-18(9-11-19)16(13-20)12-15-6-4-3-5-7-15;1-2/h14-16,20H,3-13H2,1-2H3;1-2H3
InChIKeyBWDBDYICKUOPSB-UHFFFAOYSA-N
MW342.52 g/mol
LogP3.51
Rot. Bonds5

About ethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate

ethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate (PubChem CID 142156800) has the molecular formula C19H38N2O3 and a molecular weight of 342.52 g/mol. Its IUPAC name is ethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate
PubChem CID142156800
Molecular FormulaC19H38N2O3
Molecular Weight342.52 g/mol
Exact Mass342.29
IUPAC Nameethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate
SMILESCC.CC(C)OC(=O)N1CCN(C(CO)CC2CCCCC2)CC1
InChIInChI=1S/C17H32N2O3.C2H6/c1-14(2)22-17(21)19-10-8-18(9-11-19)16(13-20)12-15-6-4-3-5-7-15;1-2/h14-16,20H,3-13H2,1-2H3;1-2H3
InChIKeyBWDBDYICKUOPSB-UHFFFAOYSA-N
XLogP3.51
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate with MolForge

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Related Compounds

(2s,3s)-1-(t-Butoxycarbonyl)-3-hydroxy-2-(1-hydroxycyclohexyl)piperidine
CID 129822582
(4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 102274739
Ethyl 2-(1-hydroxyundecyl)piperidine-1-carboxylate
CID 9818803
t-butyl [(1S)-1-(cyclohexylmethyl)-2-hydroxy-3-piperidinopropyl]carbamate
CID 56982890
4-(1-Cyclohexyl-2-hydroxy-ethyl)-piperazine-1-carboxylic acid tert-butyl ester
CID 58786406
Tert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate
CID 58786448
Tert-butyl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate
CID 58786601
Tert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate
CID 58786728
tert-butyl-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid
CID 67190807
tert-butyl-[(1S,2R)-1-cyclohexyl-1-hydroxy-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamic acid
CID 67192642
Tert-butyl 2-(2-cyclohexylethyl)-5-(hydroxymethyl)morpholine-4-carboxylate
CID 68559670
2-(S)-(2-Cyclohexylethyl)-5-(S)-hydroxymethylmorpholine-4-carboxylic acid tert-butyl ester
CID 68559673

Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate?
The IUPAC name of ethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate (CID 142156800) is ethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate?
The canonical SMILES for ethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate is CC.CC(C)OC(=O)N1CCN(C(CO)CC2CCCCC2)CC1.
What is the InChIKey of ethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate?
The InChIKey is BWDBDYICKUOPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3.C2H6/c1-14(2)22-17(21)19-10-8-18(9-11-19)16(13-20)12-15-6-4-3-5-7-15;1-2/h14-16,20H,3-13H2,1-2H3;1-2H3.
What are the key properties of ethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate?
ethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate has a molecular weight of 342.52 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 142156800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).