3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole

C20H22N2 — CID 10493741

IUPAC3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole
SMILESCN1CCCCC1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C20H22N2/c1-22-14-8-7-13-18(22)19-16-11-5-6-12-17(16)21-20(19)15-9-3-2-4-10-15/h2-6,9-12,18,21H,7-8,13-14H2,1H3
InChIKeyYKKPUIDGSXNPRO-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.99
Rot. Bonds2

About 3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole

3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole (PubChem CID 10493741) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole
PubChem CID10493741
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole
SMILESCN1CCCCC1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C20H22N2/c1-22-14-8-7-13-18(22)19-16-11-5-6-12-17(16)21-20(19)15-9-3-2-4-10-15/h2-6,9-12,18,21H,7-8,13-14H2,1H3
InChIKeyYKKPUIDGSXNPRO-UHFFFAOYSA-N
XLogP4.99
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole?
The IUPAC name of 3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole (CID 10493741) is 3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole.
What is the SMILES notation for 3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole?
The canonical SMILES for 3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole is CN1CCCCC1c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole?
The InChIKey is YKKPUIDGSXNPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-22-14-8-7-13-18(22)19-16-11-5-6-12-17(16)21-20(19)15-9-3-2-4-10-15/h2-6,9-12,18,21H,7-8,13-14H2,1H3.
What are the key properties of 3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole?
3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole has a molecular weight of 290.41 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-2-yl)-2-phenyl-1H-indole is sourced from PubChem (CID 10493741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).