3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole

C19H24N2 — CID 56574161

IUPAC3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole
SMILESC1=CC(N2CCC(c3c[nH]c4ccccc34)CC2)CCC1
InChIInChI=1S/C19H24N2/c1-2-6-16(7-3-1)21-12-10-15(11-13-21)18-14-20-19-9-5-4-8-17(18)19/h2,4-6,8-9,14-16,20H,1,3,7,10-13H2
InChIKeyNDSWTZILENEZMA-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.46
Rot. Bonds2

About 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole

3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole (PubChem CID 56574161) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole
PubChem CID56574161
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole
SMILESC1=CC(N2CCC(c3c[nH]c4ccccc34)CC2)CCC1
InChIInChI=1S/C19H24N2/c1-2-6-16(7-3-1)21-12-10-15(11-13-21)18-14-20-19-9-5-4-8-17(18)19/h2,4-6,8-9,14-16,20H,1,3,7,10-13H2
InChIKeyNDSWTZILENEZMA-UHFFFAOYSA-N
XLogP4.46
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-5-methoxy-1H-indole
CID 56574521
2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 152768012
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
CID 67426458
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole
CID 144855106
3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole
CID 91802123
methane;3-piperidin-4-yl-1H-indole
CID 70444570
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole?
The IUPAC name of 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole (CID 56574161) is 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole is C1=CC(N2CCC(c3c[nH]c4ccccc34)CC2)CCC1.
What is the InChIKey of 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole?
The InChIKey is NDSWTZILENEZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-6-16(7-3-1)21-12-10-15(11-13-21)18-14-20-19-9-5-4-8-17(18)19/h2,4-6,8-9,14-16,20H,1,3,7,10-13H2.
What are the key properties of 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole?
3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole has a molecular weight of 280.42 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 56574161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).