1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole

C21H26N2 — CID 174391679

IUPAC1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole
SMILESCN1c2ccccc2C(N2CCCCC2)C1(C)c1ccccc1
InChIInChI=1S/C21H26N2/c1-21(17-11-5-3-6-12-17)20(23-15-9-4-10-16-23)18-13-7-8-14-19(18)22(21)2/h3,5-8,11-14,20H,4,9-10,15-16H2,1-2H3
InChIKeyNKGTULSKMIPNAQ-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.58
Rot. Bonds2

About 1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole

1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole (PubChem CID 174391679) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole.

Molecular Properties

Compound Name1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole
PubChem CID174391679
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole
SMILESCN1c2ccccc2C(N2CCCCC2)C1(C)c1ccccc1
InChIInChI=1S/C21H26N2/c1-21(17-11-5-3-6-12-17)20(23-15-9-4-10-16-23)18-13-7-8-14-19(18)22(21)2/h3,5-8,11-14,20H,4,9-10,15-16H2,1-2H3
InChIKeyNKGTULSKMIPNAQ-UHFFFAOYSA-N
XLogP4.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole?
The IUPAC name of 1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole (CID 174391679) is 1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole.
What is the SMILES notation for 1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole?
The canonical SMILES for 1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole is CN1c2ccccc2C(N2CCCCC2)C1(C)c1ccccc1.
What is the InChIKey of 1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole?
The InChIKey is NKGTULSKMIPNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-21(17-11-5-3-6-12-17)20(23-15-9-4-10-16-23)18-13-7-8-14-19(18)22(21)2/h3,5-8,11-14,20H,4,9-10,15-16H2,1-2H3.
What are the key properties of 1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole?
1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole has a molecular weight of 306.45 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole is sourced from PubChem (CID 174391679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).