4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride

C31H54Cl2N2O4 — CID 18348507

IUPAC4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride
SMILESCOc1c2c(c(OC)c(OC)c1OC)CC(CCCCCCCCN1CCC(N3CCCCC3)CC1)C2.Cl.Cl
InChIInChI=1S/C31H52N2O4.2ClH/c1-34-28-26-22-24(23-27(26)29(35-2)31(37-4)30(28)36-3)14-10-7-5-6-8-11-17-32-20-15-25(16-21-32)33-18-12-9-13-19-33;;/h24-25H,5-23H2,1-4H3;2*1H
InChIKeyWLONEWOGZBLAIT-UHFFFAOYSA-N
MW589.69 g/mol
LogP6.96
Rot. Bonds14

About 4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride

4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride (PubChem CID 18348507) has the molecular formula C31H54Cl2N2O4 and a molecular weight of 589.69 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride
PubChem CID18348507
Molecular FormulaC31H54Cl2N2O4
Molecular Weight589.69 g/mol
Exact Mass588.35
IUPAC Name4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride
SMILESCOc1c2c(c(OC)c(OC)c1OC)CC(CCCCCCCCN1CCC(N3CCCCC3)CC1)C2.Cl.Cl
InChIInChI=1S/C31H52N2O4.2ClH/c1-34-28-26-22-24(23-27(26)29(35-2)31(37-4)30(28)36-3)14-10-7-5-6-8-11-17-32-20-15-25(16-21-32)33-18-12-9-13-19-33;;/h24-25H,5-23H2,1-4H3;2*1H
InChIKeyWLONEWOGZBLAIT-UHFFFAOYSA-N
XLogP6.96
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.69
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride?
The IUPAC name of 4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride (CID 18348507) is 4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride.
What is the SMILES notation for 4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride?
The canonical SMILES for 4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride is COc1c2c(c(OC)c(OC)c1OC)CC(CCCCCCCCN1CCC(N3CCCCC3)CC1)C2.Cl.Cl.
What is the InChIKey of 4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride?
The InChIKey is WLONEWOGZBLAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H52N2O4.2ClH/c1-34-28-26-22-24(23-27(26)29(35-2)31(37-4)30(28)36-3)14-10-7-5-6-8-11-17-32-20-15-25(16-21-32)33-18-12-9-13-19-33;;/h24-25H,5-23H2,1-4H3;2*1H.
What are the key properties of 4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride?
4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride has a molecular weight of 589.69 g/mol, XLogP of 6.96, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride is sourced from PubChem (CID 18348507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).