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

C15H19ClN2O2 — CID 174552539

IUPAC(1-piperidin-4-ylindol-6-yl) acetate;hydrochloride
SMILESCC(=O)Oc1ccc2ccn(C3CCNCC3)c2c1.Cl
InChIInChI=1S/C15H18N2O2.ClH/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;1H
InChIKeyINCIYYCSEAMVNW-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.91
Rot. Bonds2

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

(1-piperidin-4-ylindol-6-yl) acetate;hydrochloride (PubChem CID 174552539) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (1-piperidin-4-ylindol-6-yl) acetate;hydrochloride.

Molecular Properties

Compound Name(1-piperidin-4-ylindol-6-yl) acetate;hydrochloride
PubChem CID174552539
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(1-piperidin-4-ylindol-6-yl) acetate;hydrochloride
SMILESCC(=O)Oc1ccc2ccn(C3CCNCC3)c2c1.Cl
InChIInChI=1S/C15H18N2O2.ClH/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;1H
InChIKeyINCIYYCSEAMVNW-UHFFFAOYSA-N
XLogP2.91
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.91
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

CID 11841
CID 11841
CID 17654
CID 17654
CID 76659
CID 76659
CID 24801867
CID 24801867
CID 15429212
CID 15429212
CID 15480709
CID 15480709
CID 78047
CID 78047
CID 44287445
CID 44287445
CID 12017578
CID 12017578
CID 13566983
CID 13566983
CID 2827487
CID 2827487
CID 260804
CID 260804

Frequently Asked Questions

What is the IUPAC name of (1-piperidin-4-ylindol-6-yl) acetate;hydrochloride?
The IUPAC name of (1-piperidin-4-ylindol-6-yl) acetate;hydrochloride (CID 174552539) is (1-piperidin-4-ylindol-6-yl) acetate;hydrochloride.
What is the SMILES notation for (1-piperidin-4-ylindol-6-yl) acetate;hydrochloride?
The canonical SMILES for (1-piperidin-4-ylindol-6-yl) acetate;hydrochloride is CC(=O)Oc1ccc2ccn(C3CCNCC3)c2c1.Cl.
What is the InChIKey of (1-piperidin-4-ylindol-6-yl) acetate;hydrochloride?
The InChIKey is INCIYYCSEAMVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/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;1H.
What are the key properties of (1-piperidin-4-ylindol-6-yl) acetate;hydrochloride?
(1-piperidin-4-ylindol-6-yl) acetate;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 2.91, 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;hydrochloride is sourced from PubChem (CID 174552539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).