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

C14H20N2 — CID 70444570

IUPACmethane;3-piperidin-4-yl-1H-indole
SMILESC.c1ccc2c(C3CCNCC3)c[nH]c2c1
InChIInChI=1S/C13H16N2.CH4/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10;/h1-4,9-10,14-15H,5-8H2;1H4
InChIKeyLAXDIJNUMAHVQW-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.27
Rot. Bonds1

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

methane;3-piperidin-4-yl-1H-indole (PubChem CID 70444570) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is methane;3-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Namemethane;3-piperidin-4-yl-1H-indole
PubChem CID70444570
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Namemethane;3-piperidin-4-yl-1H-indole
SMILESC.c1ccc2c(C3CCNCC3)c[nH]c2c1
InChIInChI=1S/C13H16N2.CH4/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10;/h1-4,9-10,14-15H,5-8H2;1H4
InChIKeyLAXDIJNUMAHVQW-UHFFFAOYSA-N
XLogP3.27
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-piperidin-4-yl-1H-indole
CID 91036207
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 141269853
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-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
4-chloro-3-piperidin-4-yl-1H-indole
CID 22484023
4-fluoro-3-piperidin-4-yl-1H-indole
CID 15337634
7-chloro-3-piperidin-4-yl-1H-indole
CID 12072036
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210

Frequently Asked Questions

What is the IUPAC name of methane;3-piperidin-4-yl-1H-indole?
The IUPAC name of methane;3-piperidin-4-yl-1H-indole (CID 70444570) is methane;3-piperidin-4-yl-1H-indole.
What is the SMILES notation for methane;3-piperidin-4-yl-1H-indole?
The canonical SMILES for methane;3-piperidin-4-yl-1H-indole is C.c1ccc2c(C3CCNCC3)c[nH]c2c1.
What is the InChIKey of methane;3-piperidin-4-yl-1H-indole?
The InChIKey is LAXDIJNUMAHVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.CH4/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10;/h1-4,9-10,14-15H,5-8H2;1H4.
What are the key properties of methane;3-piperidin-4-yl-1H-indole?
methane;3-piperidin-4-yl-1H-indole has a molecular weight of 216.33 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-piperidin-4-yl-1H-indole is sourced from PubChem (CID 70444570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).