4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol

C26H35N3O — CID 118729065

IUPAC4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCC(NCCCCCCn3ccc4ccccc43)CC2)cc1
InChIInChI=1S/C26H35N3O/c30-25-11-9-22(10-12-25)21-28-18-14-24(15-19-28)27-16-5-1-2-6-17-29-20-13-23-7-3-4-8-26(23)29/h3-4,7-13,20,24,27,30H,1-2,5-6,14-19,21H2
InChIKeyARYOIHAPPNVHGP-UHFFFAOYSA-N
MW405.59 g/mol
LogP5.16
Rot. Bonds10

About 4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol

4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol (PubChem CID 118729065) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is 4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol
PubChem CID118729065
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCC(NCCCCCCn3ccc4ccccc43)CC2)cc1
InChIInChI=1S/C26H35N3O/c30-25-11-9-22(10-12-25)21-28-18-14-24(15-19-28)27-16-5-1-2-6-17-29-20-13-23-7-3-4-8-26(23)29/h3-4,7-13,20,24,27,30H,1-2,5-6,14-19,21H2
InChIKeyARYOIHAPPNVHGP-UHFFFAOYSA-N
XLogP5.16
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 55.16
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 4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol (CID 118729065) is 4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol is Oc1ccc(CN2CCC(NCCCCCCn3ccc4ccccc43)CC2)cc1.
What is the InChIKey of 4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol?
The InChIKey is ARYOIHAPPNVHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c30-25-11-9-22(10-12-25)21-28-18-14-24(15-19-28)27-16-5-1-2-6-17-29-20-13-23-7-3-4-8-26(23)29/h3-4,7-13,20,24,27,30H,1-2,5-6,14-19,21H2.
What are the key properties of 4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol?
4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol has a molecular weight of 405.59 g/mol, XLogP of 5.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-indol-1-ylhexylamino)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 118729065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).