tert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate

C16H28N2O3 — CID 167242672

IUPACtert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC2CC=C(O)CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)12-13-4-6-14(19)7-5-13/h6,13,19H,4-5,7-12H2,1-3H3
InChIKeyHUAJZYIQTHIJCC-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.78
Rot. Bonds2

About tert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate

tert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate (PubChem CID 167242672) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate
PubChem CID167242672
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nametert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC2CC=C(O)CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)12-13-4-6-14(19)7-5-13/h6,13,19H,4-5,7-12H2,1-3H3
InChIKeyHUAJZYIQTHIJCC-UHFFFAOYSA-N
XLogP2.78
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate
CID 139403745
tert-butyl 4-[[1-(methoxymethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176761030
tert-butyl 4-[[1-(2-aminoethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176580703
tert-butyl 4-[(1-cyclohexylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 166459229
tert-butyl 4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 174199243
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]piperazine-1-carboxylic acid
CID 90816538
benzyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]piperazine-1-carboxylate
CID 155677833
bis(tert-butyl 4-(piperidin-3-ylmethyl)piperazine-1-carboxylate);oxalic acid
CID 56773553
tert-butyl 4-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]piperazine-1-carboxylate
CID 95972827
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl 4-[(4-oxo-6,7-dihydro-5H-1-benzofuran-6-yl)methyl]piperazine-1-carboxylate
CID 10830565
tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate
CID 107243510

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate (CID 167242672) is tert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC2CC=C(O)CC2)CC1.
What is the InChIKey of tert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate?
The InChIKey is HUAJZYIQTHIJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)12-13-4-6-14(19)7-5-13/h6,13,19H,4-5,7-12H2,1-3H3.
What are the key properties of tert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate?
tert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 167242672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).