ethane;3-piperidin-4-yl-1H-indole

C17H28N2 — CID 91036207

IUPACethane;3-piperidin-4-yl-1H-indole
SMILESCC.CC.c1ccc2c(C3CCNCC3)c[nH]c2c1
InChIInChI=1S/C13H16N2.2C2H6/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10;2*1-2/h1-4,9-10,14-15H,5-8H2;2*1-2H3
InChIKeyLEVZTRJWQBFBNW-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.69
Rot. Bonds1

About ethane;3-piperidin-4-yl-1H-indole

ethane;3-piperidin-4-yl-1H-indole (PubChem CID 91036207) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is ethane;3-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Nameethane;3-piperidin-4-yl-1H-indole
PubChem CID91036207
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Nameethane;3-piperidin-4-yl-1H-indole
SMILESCC.CC.c1ccc2c(C3CCNCC3)c[nH]c2c1
InChIInChI=1S/C13H16N2.2C2H6/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10;2*1-2/h1-4,9-10,14-15H,5-8H2;2*1-2H3
InChIKeyLEVZTRJWQBFBNW-UHFFFAOYSA-N
XLogP4.69
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methane;3-piperidin-4-yl-1H-indole
CID 70444570
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
CID 10037310
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 141269853
3-(3-methylpiperazin-2-yl)-1H-indole
CID 116829242
3-(3-bromocyclopentyl)-1H-indole
CID 130527678
3-(1H-indol-3-yl)cyclopentan-1-amine
CID 22386576
3-(oxolan-3-yl)-1H-indole
CID 146673552
3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole
CID 91802123
3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole
CID 144855106
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948

Frequently Asked Questions

What is the IUPAC name of ethane;3-piperidin-4-yl-1H-indole?
The IUPAC name of ethane;3-piperidin-4-yl-1H-indole (CID 91036207) is ethane;3-piperidin-4-yl-1H-indole.
What is the SMILES notation for ethane;3-piperidin-4-yl-1H-indole?
The canonical SMILES for ethane;3-piperidin-4-yl-1H-indole is CC.CC.c1ccc2c(C3CCNCC3)c[nH]c2c1.
What is the InChIKey of ethane;3-piperidin-4-yl-1H-indole?
The InChIKey is LEVZTRJWQBFBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.2C2H6/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10;2*1-2/h1-4,9-10,14-15H,5-8H2;2*1-2H3.
What are the key properties of ethane;3-piperidin-4-yl-1H-indole?
ethane;3-piperidin-4-yl-1H-indole has a molecular weight of 260.43 g/mol, XLogP of 4.69, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-piperidin-4-yl-1H-indole is sourced from PubChem (CID 91036207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).