1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol

C19H27ClN2O — CID 17028351

IUPAC1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCc1c(C)n(CC(O)CN2CCC(C)CC2)c2c(Cl)cccc12
InChIInChI=1S/C19H27ClN2O/c1-13-7-9-21(10-8-13)11-16(23)12-22-15(3)14(2)17-5-4-6-18(20)19(17)22/h4-6,13,16,23H,7-12H2,1-3H3
InChIKeyLMNWQRSULUAYSC-UHFFFAOYSA-N
MW334.89 g/mol
LogP4.00
Rot. Bonds4

About 1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol

1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 17028351) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID17028351
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCc1c(C)n(CC(O)CN2CCC(C)CC2)c2c(Cl)cccc12
InChIInChI=1S/C19H27ClN2O/c1-13-7-9-21(10-8-13)11-16(23)12-22-15(3)14(2)17-5-4-6-18(20)19(17)22/h4-6,13,16,23H,7-12H2,1-3H3
InChIKeyLMNWQRSULUAYSC-UHFFFAOYSA-N
XLogP4.00
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 17028351) is 1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol is Cc1c(C)n(CC(O)CN2CCC(C)CC2)c2c(Cl)cccc12.
What is the InChIKey of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is LMNWQRSULUAYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-13-7-9-21(10-8-13)11-16(23)12-22-15(3)14(2)17-5-4-6-18(20)19(17)22/h4-6,13,16,23H,7-12H2,1-3H3.
What are the key properties of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 334.89 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 17028351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).