[3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol

C27H33N3O2 — CID 67713491

IUPAC[3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol
SMILESCOc1ccc2c(ccn2CCCCc2c[nH]c3ccc(CO)cc23)c1N1CCCCC1
InChIInChI=1S/C27H33N3O2/c1-32-26-11-10-25-22(27(26)30-14-4-2-5-15-30)12-16-29(25)13-6-3-7-21-18-28-24-9-8-20(19-31)17-23(21)24/h8-12,16-18,28,31H,2-7,13-15,19H2,1H3
InChIKeyPEJDGAJTYAQQHC-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.64
Rot. Bonds8

About [3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol

[3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol (PubChem CID 67713491) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is [3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol.

Molecular Properties

Compound Name[3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol
PubChem CID67713491
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name[3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol
SMILESCOc1ccc2c(ccn2CCCCc2c[nH]c3ccc(CO)cc23)c1N1CCCCC1
InChIInChI=1S/C27H33N3O2/c1-32-26-11-10-25-22(27(26)30-14-4-2-5-15-30)12-16-29(25)13-6-3-7-21-18-28-24-9-8-20(19-31)17-23(21)24/h8-12,16-18,28,31H,2-7,13-15,19H2,1H3
InChIKeyPEJDGAJTYAQQHC-UHFFFAOYSA-N
XLogP5.64
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol?
The IUPAC name of [3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol (CID 67713491) is [3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol.
What is the SMILES notation for [3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol?
The canonical SMILES for [3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol is COc1ccc2c(ccn2CCCCc2c[nH]c3ccc(CO)cc23)c1N1CCCCC1.
What is the InChIKey of [3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol?
The InChIKey is PEJDGAJTYAQQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-32-26-11-10-25-22(27(26)30-14-4-2-5-15-30)12-16-29(25)13-6-3-7-21-18-28-24-9-8-20(19-31)17-23(21)24/h8-12,16-18,28,31H,2-7,13-15,19H2,1H3.
What are the key properties of [3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol?
[3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol has a molecular weight of 431.58 g/mol, XLogP of 5.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(5-methoxy-4-piperidin-1-ylindol-1-yl)butyl]-1H-indol-5-yl]methanol is sourced from PubChem (CID 67713491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).