bis(2-piperidin-1-ylethyl) butanedioate

C18H32N2O4 — CID 71369193

IUPACbis(2-piperidin-1-ylethyl) butanedioate
SMILESO=C(CCC(=O)OCCN1CCCCC1)OCCN1CCCCC1
InChIInChI=1S/C18H32N2O4/c21-17(23-15-13-19-9-3-1-4-10-19)7-8-18(22)24-16-14-20-11-5-2-6-12-20/h1-16H2
InChIKeyRWRVWRCNKVGVLY-UHFFFAOYSA-N
MW340.46 g/mol
LogP1.82
Rot. Bonds9

About bis(2-piperidin-1-ylethyl) butanedioate

bis(2-piperidin-1-ylethyl) butanedioate (PubChem CID 71369193) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is bis(2-piperidin-1-ylethyl) butanedioate.

Molecular Properties

Compound Namebis(2-piperidin-1-ylethyl) butanedioate
PubChem CID71369193
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Namebis(2-piperidin-1-ylethyl) butanedioate
SMILESO=C(CCC(=O)OCCN1CCCCC1)OCCN1CCCCC1
InChIInChI=1S/C18H32N2O4/c21-17(23-15-13-19-9-3-1-4-10-19)7-8-18(22)24-16-14-20-11-5-2-6-12-20/h1-16H2
InChIKeyRWRVWRCNKVGVLY-UHFFFAOYSA-N
XLogP1.82
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-piperidin-1-ylethyl hexanoate
CID 59204070
2-piperidin-1-ylethyl 2-chloroacetate
CID 12849131
2-piperidin-1-ylethyl 2-bromoacetate
CID 162508900
2-piperidin-1-ylethyl heptadecanoate
CID 118631056
1-O-methyl 4-O-[2-(4-methylpiperazin-1-yl)ethyl] butanedioate
CID 166761469
2-piperidin-1-ylethyl (Z)-octadec-9-enoate
CID 90811222
2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
CID 58135935
dodecyl 3-piperidin-1-ylpropanoate
CID 91554899
2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride
CID 138401507
2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate
CID 131853117
2-(azepan-1-yl)ethyl 3-[bis(2-hydroxyethyl)amino]propanoate;prop-2-enoyl chloride
CID 174185931
ethyl 4-piperidin-1-ylbutanoate
CID 14044356

Frequently Asked Questions

What is the IUPAC name of bis(2-piperidin-1-ylethyl) butanedioate?
The IUPAC name of bis(2-piperidin-1-ylethyl) butanedioate (CID 71369193) is bis(2-piperidin-1-ylethyl) butanedioate.
What is the SMILES notation for bis(2-piperidin-1-ylethyl) butanedioate?
The canonical SMILES for bis(2-piperidin-1-ylethyl) butanedioate is O=C(CCC(=O)OCCN1CCCCC1)OCCN1CCCCC1.
What is the InChIKey of bis(2-piperidin-1-ylethyl) butanedioate?
The InChIKey is RWRVWRCNKVGVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c21-17(23-15-13-19-9-3-1-4-10-19)7-8-18(22)24-16-14-20-11-5-2-6-12-20/h1-16H2.
What are the key properties of bis(2-piperidin-1-ylethyl) butanedioate?
bis(2-piperidin-1-ylethyl) butanedioate has a molecular weight of 340.46 g/mol, XLogP of 1.82, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-piperidin-1-ylethyl) butanedioate is sourced from PubChem (CID 71369193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).