dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine

C36H70N4O5 — CID 174906692

IUPACdipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine
SMILESCCCCCCCCON1C(C)(C)CNCC1(C)C.O=C(CCCCCCCCC(=O)OC1CCNCC1)OC1CCNCC1
InChIInChI=1S/C20H36N2O4.C16H34N2O/c23-19(25-17-9-13-21-14-10-17)7-5-3-1-2-4-6-8-20(24)26-18-11-15-22-16-12-18;1-6-7-8-9-10-11-12-19-18-15(2,3)13-17-14-16(18,4)5/h17-18,21-22H,1-16H2;17H,6-14H2,1-5H3
InChIKeyODJCXEOXRRBGFX-UHFFFAOYSA-N
MW638.98 g/mol
LogP6.44
Rot. Bonds19

About dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine

dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine (PubChem CID 174906692) has the molecular formula C36H70N4O5 and a molecular weight of 638.98 g/mol. Its IUPAC name is dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine.

Molecular Properties

Compound Namedipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine
PubChem CID174906692
Molecular FormulaC36H70N4O5
Molecular Weight638.98 g/mol
Exact Mass638.53
IUPAC Namedipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine
SMILESCCCCCCCCON1C(C)(C)CNCC1(C)C.O=C(CCCCCCCCC(=O)OC1CCNCC1)OC1CCNCC1
InChIInChI=1S/C20H36N2O4.C16H34N2O/c23-19(25-17-9-13-21-14-10-17)7-5-3-1-2-4-6-8-20(24)26-18-11-15-22-16-12-18;1-6-7-8-9-10-11-12-19-18-15(2,3)13-17-14-16(18,4)5/h17-18,21-22H,1-16H2;17H,6-14H2,1-5H3
InChIKeyODJCXEOXRRBGFX-UHFFFAOYSA-N
XLogP6.44
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.98
LogP ≤ 56.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine with MolForge

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Launch Full Analysis

Related Compounds

piperidin-4-yl pentanoate
CID 45091374
4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 156550746
4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
CID 155213134
bis(2,2,6,6-tetrakis-decyl-1-octoxypiperidin-4-yl) decanedioate
CID 150064003
cyclopropyl decanoate
CID 154321154
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane
CID 159751289
(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate
CID 59518528
10-O-(1-hexyl-2,2,5,5-tetramethylpyrrolidin-3-yl) 1-O-(2,2,7,7-tetramethyl-1-octoxyazepan-4-yl) decanedioate
CID 122414841
10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate
CID 90713929
10-O-(2,2,6,6-tetramethyl-1-octa-1,3,5,7-tetraynoxypiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate
CID 22969584
cyclobutyl pentadecanoate
CID 46229794

Frequently Asked Questions

What is the IUPAC name of dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine?
The IUPAC name of dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine (CID 174906692) is dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine.
What is the SMILES notation for dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine?
The canonical SMILES for dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine is CCCCCCCCON1C(C)(C)CNCC1(C)C.O=C(CCCCCCCCC(=O)OC1CCNCC1)OC1CCNCC1.
What is the InChIKey of dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine?
The InChIKey is ODJCXEOXRRBGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4.C16H34N2O/c23-19(25-17-9-13-21-14-10-17)7-5-3-1-2-4-6-8-20(24)26-18-11-15-22-16-12-18;1-6-7-8-9-10-11-12-19-18-15(2,3)13-17-14-16(18,4)5/h17-18,21-22H,1-16H2;17H,6-14H2,1-5H3.
What are the key properties of dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine?
dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine has a molecular weight of 638.98 g/mol, XLogP of 6.44, 19 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine is sourced from PubChem (CID 174906692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).