(1-piperidin-4-ylindol-6-yl) acetate

C15H18N2O2 — CID 174552540

IUPAC(1-piperidin-4-ylindol-6-yl) acetate
SMILESCC(=O)Oc1ccc2ccn(C3CCNCC3)c2c1
InChIInChI=1S/C15H18N2O2/c1-11(18)19-14-3-2-12-6-9-17(15(12)10-14)13-4-7-16-8-5-13/h2-3,6,9-10,13,16H,4-5,7-8H2,1H3
InChIKeyLOGUELMSLOGFGL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.49
Rot. Bonds2

About (1-piperidin-4-ylindol-6-yl) acetate

(1-piperidin-4-ylindol-6-yl) acetate (PubChem CID 174552540) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (1-piperidin-4-ylindol-6-yl) acetate.

Molecular Properties

Compound Name(1-piperidin-4-ylindol-6-yl) acetate
PubChem CID174552540
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(1-piperidin-4-ylindol-6-yl) acetate
SMILESCC(=O)Oc1ccc2ccn(C3CCNCC3)c2c1
InChIInChI=1S/C15H18N2O2/c1-11(18)19-14-3-2-12-6-9-17(15(12)10-14)13-4-7-16-8-5-13/h2-3,6,9-10,13,16H,4-5,7-8H2,1H3
InChIKeyLOGUELMSLOGFGL-UHFFFAOYSA-N
XLogP2.49
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-piperidin-4-ylindol-6-yl) acetate;hydrochloride
CID 174552539
1-piperidin-4-ylindole-6-carboxylic acid
CID 59439473
(1-ethylindol-5-yl) acetate
CID 57170525
ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate
CID 174420419
[3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate
CID 139331762
6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride
CID 143753648
1-cyclobutylindol-6-ol
CID 141298764
(6-hydroxyanthracen-2-yl) acetate
CID 58800514
[1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate
CID 139331775
[3-[(3R,4S)-3-methylpiperidin-4-yl]phenyl] acetate
CID 89088959
3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
CID 162388706
1-(1-cyclopentylindol-5-yl)ethanone
CID 115115492

Frequently Asked Questions

What is the IUPAC name of (1-piperidin-4-ylindol-6-yl) acetate?
The IUPAC name of (1-piperidin-4-ylindol-6-yl) acetate (CID 174552540) is (1-piperidin-4-ylindol-6-yl) acetate.
What is the SMILES notation for (1-piperidin-4-ylindol-6-yl) acetate?
The canonical SMILES for (1-piperidin-4-ylindol-6-yl) acetate is CC(=O)Oc1ccc2ccn(C3CCNCC3)c2c1.
What is the InChIKey of (1-piperidin-4-ylindol-6-yl) acetate?
The InChIKey is LOGUELMSLOGFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(18)19-14-3-2-12-6-9-17(15(12)10-14)13-4-7-16-8-5-13/h2-3,6,9-10,13,16H,4-5,7-8H2,1H3.
What are the key properties of (1-piperidin-4-ylindol-6-yl) acetate?
(1-piperidin-4-ylindol-6-yl) acetate has a molecular weight of 258.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-piperidin-4-ylindol-6-yl) acetate is sourced from PubChem (CID 174552540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).