1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol

C23H28N2O2 — CID 140981807

IUPAC1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol
SMILESOc1ccc2c(ccn2Cc2ccc(OCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C23H28N2O2/c26-21-7-10-23-20(17-21)11-15-25(23)18-19-5-8-22(9-6-19)27-16-4-14-24-12-2-1-3-13-24/h5-11,15,17,26H,1-4,12-14,16,18H2
InChIKeyBACXFPFWHHCSOV-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.65
Rot. Bonds7

About 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol

1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol (PubChem CID 140981807) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol.

Molecular Properties

Compound Name1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol
PubChem CID140981807
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol
SMILESOc1ccc2c(ccn2Cc2ccc(OCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C23H28N2O2/c26-21-7-10-23-20(17-21)11-15-25(23)18-19-5-8-22(9-6-19)27-16-4-14-24-12-2-1-3-13-24/h5-11,15,17,26H,1-4,12-14,16,18H2
InChIKeyBACXFPFWHHCSOV-UHFFFAOYSA-N
XLogP4.65
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole
CID 175357552
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
1-(2-piperidin-1-ylethyl)-5-propoxyindole
CID 116625548
3-methyl-2-(4-phenylmethoxyphenyl)-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol
CID 20747240
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
1-[(3,4-dichlorophenyl)methyl]indol-5-ol
CID 151816964
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316
2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol
CID 91409134
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol
CID 52937427
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol?
The IUPAC name of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol (CID 140981807) is 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol.
What is the SMILES notation for 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol?
The canonical SMILES for 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol is Oc1ccc2c(ccn2Cc2ccc(OCCCN3CCCCC3)cc2)c1.
What is the InChIKey of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol?
The InChIKey is BACXFPFWHHCSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-21-7-10-23-20(17-21)11-15-25(23)18-19-5-8-22(9-6-19)27-16-4-14-24-12-2-1-3-13-24/h5-11,15,17,26H,1-4,12-14,16,18H2.
What are the key properties of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol?
1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol has a molecular weight of 364.49 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol is sourced from PubChem (CID 140981807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).