2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate

C38H58N2O6-2 — CID 19892366

IUPAC2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate
SMILESCC1(C)CC(c2ccc(C(=O)[O-])c(C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)c2C(=O)[O-])CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C38H60N2O6/c1-35(2)21-25(22-36(3,4)39(35)45-27-15-11-9-12-16-27)29-19-20-30(33(41)42)31(32(29)34(43)44)26-23-37(5,6)40(38(7,8)24-26)46-28-17-13-10-14-18-28/h19-20,25-28H,9-18,21-24H2,1-8H3,(H,41,42)(H,43,44)/p-2
InChIKeySQIZWAXFVRSUGV-UHFFFAOYSA-L
MW638.89 g/mol
LogP6.42
Rot. Bonds8

About 2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate

2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate (PubChem CID 19892366) has the molecular formula C38H58N2O6-2 and a molecular weight of 638.89 g/mol. Its IUPAC name is 2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Name2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate
PubChem CID19892366
Molecular FormulaC38H58N2O6-2
Molecular Weight638.89 g/mol
Exact Mass638.43
IUPAC Name2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate
SMILESCC1(C)CC(c2ccc(C(=O)[O-])c(C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)c2C(=O)[O-])CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C38H60N2O6/c1-35(2)21-25(22-36(3,4)39(35)45-27-15-11-9-12-16-27)29-19-20-30(33(41)42)31(32(29)34(43)44)26-23-37(5,6)40(38(7,8)24-26)46-28-17-13-10-14-18-28/h19-20,25-28H,9-18,21-24H2,1-8H3,(H,41,42)(H,43,44)/p-2
InChIKeySQIZWAXFVRSUGV-UHFFFAOYSA-L
XLogP6.42
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.89
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate with MolForge

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Related Compounds

2,6-dicyclopropylbenzoate
CID 140784122
(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-(chloromethyl)benzoate
CID 54381320
(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate
CID 19892345
N-benzyl-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine
CID 22902705
1-O,2-O-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 90132227
1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,N-dimethylmethanamine
CID 59934514
bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,4-dicarboxylate;bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;tetrakis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate;tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 158947289
6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 135234608
(15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 6989833
N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-N,6-dimethyl-1,3,5-triazin-2-amine
CID 134316320
bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzene-1,2-dicarboxylate
CID 118874476
2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine
CID 19832525

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate?
The IUPAC name of 2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate (CID 19892366) is 2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate.
What is the SMILES notation for 2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate?
The canonical SMILES for 2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate is CC1(C)CC(c2ccc(C(=O)[O-])c(C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)c2C(=O)[O-])CC(C)(C)N1OC1CCCCC1.
What is the InChIKey of 2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate?
The InChIKey is SQIZWAXFVRSUGV-UHFFFAOYSA-L. The full InChI is InChI=1S/C38H60N2O6/c1-35(2)21-25(22-36(3,4)39(35)45-27-15-11-9-12-16-27)29-19-20-30(33(41)42)31(32(29)34(43)44)26-23-37(5,6)40(38(7,8)24-26)46-28-17-13-10-14-18-28/h19-20,25-28H,9-18,21-24H2,1-8H3,(H,41,42)(H,43,44)/p-2.
What are the key properties of 2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate?
2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate has a molecular weight of 638.89 g/mol, XLogP of 6.42, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylate is sourced from PubChem (CID 19892366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).