1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol

C19H28N2O — CID 5235423

IUPAC1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(C)c(C)n2CC(O)CN1CCCCC1
InChIInChI=1S/C19H28N2O/c1-14-7-8-19-18(11-14)15(2)16(3)21(19)13-17(22)12-20-9-5-4-6-10-20/h7-8,11,17,22H,4-6,9-10,12-13H2,1-3H3
InChIKeyQFJLVIBQTRNFGH-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.41
Rot. Bonds4

About 1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol

1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol (PubChem CID 5235423) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
PubChem CID5235423
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(C)c(C)n2CC(O)CN1CCCCC1
InChIInChI=1S/C19H28N2O/c1-14-7-8-19-18(11-14)15(2)16(3)21(19)13-17(22)12-20-9-5-4-6-10-20/h7-8,11,17,22H,4-6,9-10,12-13H2,1-3H3
InChIKeyQFJLVIBQTRNFGH-UHFFFAOYSA-N
XLogP3.41
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 1089152
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 1089151
hydron;1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;chloride
CID 648761
1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol
CID 167588566
1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 17028209
(2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 35583838
(2R)-1-(4-methylpiperidin-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 961698
(2S)-1-(azepan-1-yl)-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol
CID 42589641
1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 17028427
1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2896531
1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 3151627
1-(4-benzylpiperazin-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 4525016

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The IUPAC name of 1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol (CID 5235423) is 1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The canonical SMILES for 1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol is Cc1ccc2c(c1)c(C)c(C)n2CC(O)CN1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The InChIKey is QFJLVIBQTRNFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14-7-8-19-18(11-14)15(2)16(3)21(19)13-17(22)12-20-9-5-4-6-10-20/h7-8,11,17,22H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of 1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol has a molecular weight of 300.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol is sourced from PubChem (CID 5235423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).