bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate

C24H42N2O4 — CID 155075621

IUPACbis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate
SMILESCC(C)(OC(=O)C1CCC(C(=O)OC(C)(C)C2CCNCC2)CC1)C1CCNCC1
InChIInChI=1S/C24H42N2O4/c1-23(2,19-9-13-25-14-10-19)29-21(27)17-5-7-18(8-6-17)22(28)30-24(3,4)20-11-15-26-16-12-20/h17-20,25-26H,5-16H2,1-4H3
InChIKeyJIHDBHWYJLPQPF-UHFFFAOYSA-N
MW422.61 g/mol
LogP3.44
Rot. Bonds6

About bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate

bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate (PubChem CID 155075621) has the molecular formula C24H42N2O4 and a molecular weight of 422.61 g/mol. Its IUPAC name is bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate.

Molecular Properties

Compound Namebis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate
PubChem CID155075621
Molecular FormulaC24H42N2O4
Molecular Weight422.61 g/mol
Exact Mass422.31
IUPAC Namebis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate
SMILESCC(C)(OC(=O)C1CCC(C(=O)OC(C)(C)C2CCNCC2)CC1)C1CCNCC1
InChIInChI=1S/C24H42N2O4/c1-23(2,19-9-13-25-14-10-19)29-21(27)17-5-7-18(8-6-17)22(28)30-24(3,4)20-11-15-26-16-12-20/h17-20,25-26H,5-16H2,1-4H3
InChIKeyJIHDBHWYJLPQPF-UHFFFAOYSA-N
XLogP3.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
CID 155075585
bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate
CID 155076100
2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate
CID 155075516
2-piperidin-4-ylpropan-2-yl propanoate
CID 155605403
2-piperidin-4-ylpropan-2-yl 2,2,2-tribromoacetate
CID 155605248
2-piperidin-4-ylpropan-2-yl 3-methylbut-2-enoate
CID 155075946
2-piperidin-4-ylpropan-2-yl 2-sulfanylacetate
CID 168757919
2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate
CID 157326852
2-piperidin-1-ium-4-ylpropan-2-yl 4-tert-butylcyclohexane-1-carboxylate
CID 167314636
2-piperidin-4-ylpropan-2-yl 3-[3-oxo-3-(2-piperidin-4-ylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 155075563
tert-butyl cyclopropanecarboxylate
CID 157212632
bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
CID 155075566

Frequently Asked Questions

What is the IUPAC name of bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate?
The IUPAC name of bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate (CID 155075621) is bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate.
What is the SMILES notation for bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate?
The canonical SMILES for bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate is CC(C)(OC(=O)C1CCC(C(=O)OC(C)(C)C2CCNCC2)CC1)C1CCNCC1.
What is the InChIKey of bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate?
The InChIKey is JIHDBHWYJLPQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O4/c1-23(2,19-9-13-25-14-10-19)29-21(27)17-5-7-18(8-6-17)22(28)30-24(3,4)20-11-15-26-16-12-20/h17-20,25-26H,5-16H2,1-4H3.
What are the key properties of bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate?
bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate has a molecular weight of 422.61 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate is sourced from PubChem (CID 155075621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).