5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol

C19H28N2O — CID 110923848

IUPAC5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol
SMILESCc1[nH]c2ccccc2c1C1CCN(CCCCCO)CC1
InChIInChI=1S/C19H28N2O/c1-15-19(17-7-3-4-8-18(17)20-15)16-9-12-21(13-10-16)11-5-2-6-14-22/h3-4,7-8,16,20,22H,2,5-6,9-14H2,1H3
InChIKeyXNDSRDCNMHPKCR-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.82
Rot. Bonds6

About 5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol

5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol (PubChem CID 110923848) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol
PubChem CID110923848
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol
SMILESCc1[nH]c2ccccc2c1C1CCN(CCCCCO)CC1
InChIInChI=1S/C19H28N2O/c1-15-19(17-7-3-4-8-18(17)20-15)16-9-12-21(13-10-16)11-5-2-6-14-22/h3-4,7-8,16,20,22H,2,5-6,9-14H2,1H3
InChIKeyXNDSRDCNMHPKCR-UHFFFAOYSA-N
XLogP3.82
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-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

2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine
CID 82622295
N-(3-methoxypropyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 60506168
4-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-3-methyl-2H-isoquinolin-1-one
CID 23084780
cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087328
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292
4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113087330
2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087318
N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 112843042
[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113087329
(E)-1-(3,4-dichlorophenyl)-3-[4-[2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]prop-2-en-1-one
CID 70167520
(2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile
CID 94393048
3-[1-(3-hydroxypropyl)piperidin-4-yl]-5-methyl-2H-isoquinolin-1-one
CID 10040472

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol?
The IUPAC name of 5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol (CID 110923848) is 5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol is Cc1[nH]c2ccccc2c1C1CCN(CCCCCO)CC1.
What is the InChIKey of 5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol?
The InChIKey is XNDSRDCNMHPKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15-19(17-7-3-4-8-18(17)20-15)16-9-12-21(13-10-16)11-5-2-6-14-22/h3-4,7-8,16,20,22H,2,5-6,9-14H2,1H3.
What are the key properties of 5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol?
5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol has a molecular weight of 300.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol is sourced from PubChem (CID 110923848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).