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

C33H50Cl2N2O5 — CID 18348663

IUPAC4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride
SMILESCOc1c2c(c(OC)c(OC)c1OC)CC(CCCOc1ccc(CN3CCC(N4CCCCC4)CC3)cc1)C2.Cl.Cl
InChIInChI=1S/C33H48N2O5.2ClH/c1-36-30-28-21-25(22-29(28)31(37-2)33(39-4)32(30)38-3)9-8-20-40-27-12-10-24(11-13-27)23-34-18-14-26(15-19-34)35-16-6-5-7-17-35;;/h10-13,25-26H,5-9,14-23H2,1-4H3;2*1H
InChIKeyAYZAKOUWGQAOGQ-UHFFFAOYSA-N
MW625.68 g/mol
LogP6.59
Rot. Bonds12

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

4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride (PubChem CID 18348663) has the molecular formula C33H50Cl2N2O5 and a molecular weight of 625.68 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride
PubChem CID18348663
Molecular FormulaC33H50Cl2N2O5
Molecular Weight625.68 g/mol
Exact Mass624.31
IUPAC Name4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride
SMILESCOc1c2c(c(OC)c(OC)c1OC)CC(CCCOc1ccc(CN3CCC(N4CCCCC4)CC3)cc1)C2.Cl.Cl
InChIInChI=1S/C33H48N2O5.2ClH/c1-36-30-28-21-25(22-29(28)31(37-2)33(39-4)32(30)38-3)9-8-20-40-27-12-10-24(11-13-27)23-34-18-14-26(15-19-34)35-16-6-5-7-17-35;;/h10-13,25-26H,5-9,14-23H2,1-4H3;2*1H
InChIKeyAYZAKOUWGQAOGQ-UHFFFAOYSA-N
XLogP6.59
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.68
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride with MolForge

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
CID 806803
1-[(2-methoxyphenyl)methyl]-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,4-diazepane;hydrochloride
CID 24736584
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine
CID 178026947
1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine
CID 25267143
[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 25455222
[1-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 29213317
2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine
CID 77096751
4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 27267003
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one
CID 134794419
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-ylpiperidine
CID 1375678
1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148359

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride?
The IUPAC name of 4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride (CID 18348663) is 4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride.
What is the SMILES notation for 4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride?
The canonical SMILES for 4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride is COc1c2c(c(OC)c(OC)c1OC)CC(CCCOc1ccc(CN3CCC(N4CCCCC4)CC3)cc1)C2.Cl.Cl.
What is the InChIKey of 4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride?
The InChIKey is AYZAKOUWGQAOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48N2O5.2ClH/c1-36-30-28-21-25(22-29(28)31(37-2)33(39-4)32(30)38-3)9-8-20-40-27-12-10-24(11-13-27)23-34-18-14-26(15-19-34)35-16-6-5-7-17-35;;/h10-13,25-26H,5-9,14-23H2,1-4H3;2*1H.
What are the key properties of 4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride?
4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride has a molecular weight of 625.68 g/mol, XLogP of 6.59, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride is sourced from PubChem (CID 18348663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).