4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol

C17H24N2O2 — CID 74236763

IUPAC4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol
SMILESCn1c(CN2CCCC(O)(CO)CC2)cc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-18-15(11-14-5-2-3-6-16(14)18)12-19-9-4-7-17(21,13-20)8-10-19/h2-3,5-6,11,20-21H,4,7-10,12-13H2,1H3
InChIKeyVRVDPTFCPXCLFC-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.89
Rot. Bonds3

About 4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol

4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol (PubChem CID 74236763) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol
PubChem CID74236763
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol
SMILESCn1c(CN2CCCC(O)(CO)CC2)cc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-18-15(11-14-5-2-3-6-16(14)18)12-19-9-4-7-17(21,13-20)8-10-19/h2-3,5-6,11,20-21H,4,7-10,12-13H2,1H3
InChIKeyVRVDPTFCPXCLFC-UHFFFAOYSA-N
XLogP1.89
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol 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

4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid
CID 142781838
3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 56710153
4-[(1-methylindol-2-yl)methyl]morpholine
CID 117173146
4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid
CID 70760784
2-(azepan-1-ylmethyl)-1-methylindole-5-carboxylic acid
CID 117176936
5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole
CID 117176614
2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70766870
1-[(3,4-difluorophenyl)methyl]-4-(hydroxymethyl)azepan-4-ol
CID 56886709
2-(azepan-1-ylmethyl)-1-methylindole-6-carboxylic acid
CID 117180384
2-(azepan-1-ylmethyl)-1,5-dimethylindole
CID 117185359
4-(hydroxymethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-ol
CID 56908922
(4R)-4-(hydroxymethyl)-1-[3-(2-methoxyphenoxy)propyl]azepan-4-ol
CID 95707159

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol (CID 74236763) is 4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol is Cn1c(CN2CCCC(O)(CO)CC2)cc2ccccc21.
What is the InChIKey of 4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol?
The InChIKey is VRVDPTFCPXCLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-15(11-14-5-2-3-6-16(14)18)12-19-9-4-7-17(21,13-20)8-10-19/h2-3,5-6,11,20-21H,4,7-10,12-13H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol?
4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol has a molecular weight of 288.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol is sourced from PubChem (CID 74236763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).