4,6-dimethoxy-3-piperidin-4-yl-1H-indole

C15H20N2O2 — CID 82212376

IUPAC4,6-dimethoxy-3-piperidin-4-yl-1H-indole
SMILESCOc1cc(OC)c2c(C3CCNCC3)c[nH]c2c1
InChIInChI=1S/C15H20N2O2/c1-18-11-7-13-15(14(8-11)19-2)12(9-17-13)10-3-5-16-6-4-10/h7-10,16-17H,3-6H2,1-2H3
InChIKeyKVVIXBSOMWUXKB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.65
Rot. Bonds3

About 4,6-dimethoxy-3-piperidin-4-yl-1H-indole

4,6-dimethoxy-3-piperidin-4-yl-1H-indole (PubChem CID 82212376) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4,6-dimethoxy-3-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name4,6-dimethoxy-3-piperidin-4-yl-1H-indole
PubChem CID82212376
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4,6-dimethoxy-3-piperidin-4-yl-1H-indole
SMILESCOc1cc(OC)c2c(C3CCNCC3)c[nH]c2c1
InChIInChI=1S/C15H20N2O2/c1-18-11-7-13-15(14(8-11)19-2)12(9-17-13)10-3-5-16-6-4-10/h7-10,16-17H,3-6H2,1-2H3
InChIKeyKVVIXBSOMWUXKB-UHFFFAOYSA-N
XLogP2.65
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine
CID 117430883
4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole
CID 15268585
4-(2-methoxyphenyl)piperidine
CID 544738
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
2,6-dimethoxy-4-piperidin-4-ylaniline
CID 117345445
4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine
CID 117342505
4-(4,6-dimethoxy-1H-indol-3-yl)phenol
CID 11391542
4-fluoro-3-piperidin-4-yl-1H-indole
CID 15337634
4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine
CID 117402861
4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
CID 83392391
4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine
CID 117467271
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-3-piperidin-4-yl-1H-indole?
The IUPAC name of 4,6-dimethoxy-3-piperidin-4-yl-1H-indole (CID 82212376) is 4,6-dimethoxy-3-piperidin-4-yl-1H-indole.
What is the SMILES notation for 4,6-dimethoxy-3-piperidin-4-yl-1H-indole?
The canonical SMILES for 4,6-dimethoxy-3-piperidin-4-yl-1H-indole is COc1cc(OC)c2c(C3CCNCC3)c[nH]c2c1.
What is the InChIKey of 4,6-dimethoxy-3-piperidin-4-yl-1H-indole?
The InChIKey is KVVIXBSOMWUXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-11-7-13-15(14(8-11)19-2)12(9-17-13)10-3-5-16-6-4-10/h7-10,16-17H,3-6H2,1-2H3.
What are the key properties of 4,6-dimethoxy-3-piperidin-4-yl-1H-indole?
4,6-dimethoxy-3-piperidin-4-yl-1H-indole has a molecular weight of 260.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-3-piperidin-4-yl-1H-indole is sourced from PubChem (CID 82212376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).