dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride

C22H42Cl2N2O4 — CID 24837362

IUPACdimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride
SMILESCOC(=O)C(CCCCCCC(C(=O)OC)C1CCCCN1)C1CCCCN1.Cl.Cl
InChIInChI=1S/C22H40N2O4.2ClH/c1-27-21(25)17(19-13-7-9-15-23-19)11-5-3-4-6-12-18(22(26)28-2)20-14-8-10-16-24-20;;/h17-20,23-24H,3-16H2,1-2H3;2*1H
InChIKeyRFCLBEGDOAZDAZ-UHFFFAOYSA-N
MW469.49 g/mol
LogP4.03
Rot. Bonds11

About dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride

dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride (PubChem CID 24837362) has the molecular formula C22H42Cl2N2O4 and a molecular weight of 469.49 g/mol. Its IUPAC name is dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride.

Molecular Properties

Compound Namedimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride
PubChem CID24837362
Molecular FormulaC22H42Cl2N2O4
Molecular Weight469.49 g/mol
Exact Mass468.25
IUPAC Namedimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride
SMILESCOC(=O)C(CCCCCCC(C(=O)OC)C1CCCCN1)C1CCCCN1.Cl.Cl
InChIInChI=1S/C22H40N2O4.2ClH/c1-27-21(25)17(19-13-7-9-15-23-19)11-5-3-4-6-12-18(22(26)28-2)20-14-8-10-16-24-20;;/h17-20,23-24H,3-16H2,1-2H3;2*1H
InChIKeyRFCLBEGDOAZDAZ-UHFFFAOYSA-N
XLogP4.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2,7-di(piperidin-2-yl)octanedioate
CID 24840701
dimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride
CID 24838597
dimethyl 2,6-di(piperidin-2-yl)heptanedioate
CID 24838598
methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate
CID 10490732
2,15-dicyclopropyl-16-methoxy-16-oxohexadecanoic acid
CID 66795678
1-piperidin-2-ylhexadecan-1-ol
CID 23497732
methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158
methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52946039
methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 45259420
methyl (2S)-2-(3-chlorophenyl)-2-piperidin-2-ylacetate;hydrochloride
CID 45259428
methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide
CID 67605642
2-pyrrolidin-2-ylbutanamide
CID 69095576

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride?
The IUPAC name of dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride (CID 24837362) is dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride.
What is the SMILES notation for dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride?
The canonical SMILES for dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride is COC(=O)C(CCCCCCC(C(=O)OC)C1CCCCN1)C1CCCCN1.Cl.Cl.
What is the InChIKey of dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride?
The InChIKey is RFCLBEGDOAZDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O4.2ClH/c1-27-21(25)17(19-13-7-9-15-23-19)11-5-3-4-6-12-18(22(26)28-2)20-14-8-10-16-24-20;;/h17-20,23-24H,3-16H2,1-2H3;2*1H.
What are the key properties of dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride?
dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride has a molecular weight of 469.49 g/mol, XLogP of 4.03, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,9-di(piperidin-2-yl)decanedioate;dihydrochloride is sourced from PubChem (CID 24837362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).