(2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol

C15H20N2O — CID 43146530

IUPAC(2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol
SMILESCc1[nH]c2ccccc2c1C(O)C1CCNCC1
InChIInChI=1S/C15H20N2O/c1-10-14(12-4-2-3-5-13(12)17-10)15(18)11-6-8-16-9-7-11/h2-5,11,15-18H,6-9H2,1H3
InChIKeySJBKMTZKXFPALB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.51
Rot. Bonds2

About (2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol

(2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol (PubChem CID 43146530) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol.

Molecular Properties

Compound Name(2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol
PubChem CID43146530
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol
SMILESCc1[nH]c2ccccc2c1C(O)C1CCNCC1
InChIInChI=1S/C15H20N2O/c1-10-14(12-4-2-3-5-13(12)17-10)15(18)11-6-8-16-9-7-11/h2-5,11,15-18H,6-9H2,1H3
InChIKeySJBKMTZKXFPALB-UHFFFAOYSA-N
XLogP2.51
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol
CID 64868312
2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole
CID 82300707
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
CID 116830002
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
[4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol
CID 83976649
2-(cyclopropylamino)-1-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 82294420
1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol
CID 170819227
3-(azepan-4-yl)-2-methyl-1H-indole
CID 82288280
(4,5-dimethyl-1H-imidazol-2-yl)-piperidin-4-ylmethanol
CID 84734392
3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole
CID 102576513
3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole
CID 102450410
(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol
CID 696635

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol?
The IUPAC name of (2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol (CID 43146530) is (2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol.
What is the SMILES notation for (2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol?
The canonical SMILES for (2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol is Cc1[nH]c2ccccc2c1C(O)C1CCNCC1.
What is the InChIKey of (2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol?
The InChIKey is SJBKMTZKXFPALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-14(12-4-2-3-5-13(12)17-10)15(18)11-6-8-16-9-7-11/h2-5,11,15-18H,6-9H2,1H3.
What are the key properties of (2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol?
(2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol has a molecular weight of 244.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol is sourced from PubChem (CID 43146530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).