bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate

C23H42N2O4 — CID 155075566

IUPACbis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
SMILESCC(C)(CCC(=O)OC(C)(C)C1CCNCC1)C(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C23H42N2O4/c1-21(2,20(27)29-23(5,6)18-10-15-25-16-11-18)12-7-19(26)28-22(3,4)17-8-13-24-14-9-17/h17-18,24-25H,7-16H2,1-6H3
InChIKeyUQKMTSWEFSYLLT-UHFFFAOYSA-N
MW410.60 g/mol
LogP3.44
Rot. Bonds8

About bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate

bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate (PubChem CID 155075566) has the molecular formula C23H42N2O4 and a molecular weight of 410.60 g/mol. Its IUPAC name is bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate.

Molecular Properties

Compound Namebis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
PubChem CID155075566
Molecular FormulaC23H42N2O4
Molecular Weight410.60 g/mol
Exact Mass410.31
IUPAC Namebis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
SMILESCC(C)(CCC(=O)OC(C)(C)C1CCNCC1)C(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C23H42N2O4/c1-21(2,20(27)29-23(5,6)18-10-15-25-16-11-18)12-7-19(26)28-22(3,4)17-8-13-24-14-9-17/h17-18,24-25H,7-16H2,1-6H3
InChIKeyUQKMTSWEFSYLLT-UHFFFAOYSA-N
XLogP3.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-piperidin-4-ylpropan-2-yl 3-[3-oxo-3-(2-piperidin-4-ylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 155075563
2-piperidin-4-ylpropan-2-yl propanoate
CID 155605403
1-O-tert-butyl 12-O-(2-piperidin-4-ylpropan-2-yl) dodecanedioate
CID 155075819
2-piperidin-4-ylpropan-2-yl 6-bromohexanoate
CID 155605241
2-piperidin-4-ylpropan-2-yl heptanoate
CID 155075502
2-piperidin-4-ylpropan-2-yl 2-sulfanylacetate
CID 168757919
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 3,3-difluorobutanoate
CID 157326852
tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
CID 155075585
2-piperidin-4-ylpropan-2-yl octacosa-10,12-diynoate
CID 155605349
2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate
CID 155075694

Frequently Asked Questions

What is the IUPAC name of bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate?
The IUPAC name of bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate (CID 155075566) is bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate.
What is the SMILES notation for bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate?
The canonical SMILES for bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate is CC(C)(CCC(=O)OC(C)(C)C1CCNCC1)C(=O)OC(C)(C)C1CCNCC1.
What is the InChIKey of bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate?
The InChIKey is UQKMTSWEFSYLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O4/c1-21(2,20(27)29-23(5,6)18-10-15-25-16-11-18)12-7-19(26)28-22(3,4)17-8-13-24-14-9-17/h17-18,24-25H,7-16H2,1-6H3.
What are the key properties of bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate?
bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate has a molecular weight of 410.60 g/mol, XLogP of 3.44, 8 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) 2,2-dimethylpentanedioate is sourced from PubChem (CID 155075566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).