3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole

C20H20Cl2N2 — CID 102223684

IUPAC3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole
SMILESClc1cccc(Cl)c1CN1CCCCC1c1c[nH]c2ccccc12
InChIInChI=1S/C20H20Cl2N2/c21-17-7-5-8-18(22)16(17)13-24-11-4-3-10-20(24)15-12-23-19-9-2-1-6-14(15)19/h1-2,5-9,12,20,23H,3-4,10-11,13H2
InChIKeySTNGFSYMMYWVHB-UHFFFAOYSA-N
MW359.30 g/mol
LogP6.20
Rot. Bonds3

About 3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole

3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole (PubChem CID 102223684) has the molecular formula C20H20Cl2N2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole
PubChem CID102223684
Molecular FormulaC20H20Cl2N2
Molecular Weight359.30 g/mol
Exact Mass358.10
IUPAC Name3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole
SMILESClc1cccc(Cl)c1CN1CCCCC1c1c[nH]c2ccccc12
InChIInChI=1S/C20H20Cl2N2/c21-17-7-5-8-18(22)16(17)13-24-11-4-3-10-20(24)15-12-23-19-9-2-1-6-14(15)19/h1-2,5-9,12,20,23H,3-4,10-11,13H2
InChIKeySTNGFSYMMYWVHB-UHFFFAOYSA-N
XLogP6.20
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.30
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole?
The IUPAC name of 3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole (CID 102223684) is 3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole.
What is the SMILES notation for 3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole?
The canonical SMILES for 3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole is Clc1cccc(Cl)c1CN1CCCCC1c1c[nH]c2ccccc12.
What is the InChIKey of 3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole?
The InChIKey is STNGFSYMMYWVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2/c21-17-7-5-8-18(22)16(17)13-24-11-4-3-10-20(24)15-12-23-19-9-2-1-6-14(15)19/h1-2,5-9,12,20,23H,3-4,10-11,13H2.
What are the key properties of 3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole?
3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole has a molecular weight of 359.30 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole is sourced from PubChem (CID 102223684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).