[1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol

C18H27N3O — CID 119128688

IUPAC[1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCCCNCc1cccc2[nH]ccc12
InChIInChI=1S/C18H27N3O/c22-14-16-6-4-12-21(16)11-2-1-9-19-13-15-5-3-7-18-17(15)8-10-20-18/h3,5,7-8,10,16,19-20,22H,1-2,4,6,9,11-14H2
InChIKeyALXLKTKAUNLAAX-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.49
Rot. Bonds8

About [1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol

[1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol (PubChem CID 119128688) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is [1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol
PubChem CID119128688
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name[1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCCCNCc1cccc2[nH]ccc12
InChIInChI=1S/C18H27N3O/c22-14-16-6-4-12-21(16)11-2-1-9-19-13-15-5-3-7-18-17(15)8-10-20-18/h3,5,7-8,10,16,19-20,22H,1-2,4,6,9,11-14H2
InChIKeyALXLKTKAUNLAAX-UHFFFAOYSA-N
XLogP2.49
TPSA51.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62999922
[1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 111114758
[1-[4-[(2,5-difluorophenyl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 111114718
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
[1-[4-[(2-chloro-6-fluorophenyl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 111114761
[1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 119128697
N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 63002106
N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 63378381
[1-[4-[(5-bromothiophen-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 111114765
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
N-cyclopropyl-2-(1H-indol-4-ylmethylamino)acetamide
CID 63000574
1-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-naphthalen-1-ylurea
CID 95318276

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol (CID 119128688) is [1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CCCCNCc1cccc2[nH]ccc12.
What is the InChIKey of [1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol?
The InChIKey is ALXLKTKAUNLAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-14-16-6-4-12-21(16)11-2-1-9-19-13-15-5-3-7-18-17(15)8-10-20-18/h3,5,7-8,10,16,19-20,22H,1-2,4,6,9,11-14H2.
What are the key properties of [1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol?
[1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol has a molecular weight of 301.43 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 119128688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).