1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride

C22H27ClN2O2 — CID 3030732

IUPAC1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride
SMILESCC(=O)c1ccc2c3ccccc3n(CCCN3CCC(O)CC3)c2c1.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-16(25)17-7-8-20-19-5-2-3-6-21(19)24(22(20)15-17)12-4-11-23-13-9-18(26)10-14-23;/h2-3,5-8,15,18,26H,4,9-14H2,1H3;1H
InChIKeyHKCYIHOOKSKQLO-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.27
Rot. Bonds5

About 1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride

1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride (PubChem CID 3030732) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride
PubChem CID3030732
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride
SMILESCC(=O)c1ccc2c3ccccc3n(CCCN3CCC(O)CC3)c2c1.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-16(25)17-7-8-20-19-5-2-3-6-21(19)24(22(20)15-17)12-4-11-23-13-9-18(26)10-14-23;/h2-3,5-8,15,18,26H,4,9-14H2,1H3;1H
InChIKeyHKCYIHOOKSKQLO-UHFFFAOYSA-N
XLogP4.27
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride?
The IUPAC name of 1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride (CID 3030732) is 1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride is CC(=O)c1ccc2c3ccccc3n(CCCN3CCC(O)CC3)c2c1.Cl.
What is the InChIKey of 1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride?
The InChIKey is HKCYIHOOKSKQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.ClH/c1-16(25)17-7-8-20-19-5-2-3-6-21(19)24(22(20)15-17)12-4-11-23-13-9-18(26)10-14-23;/h2-3,5-8,15,18,26H,4,9-14H2,1H3;1H.
What are the key properties of 1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride?
1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[3-(4-hydroxypiperidin-1-yl)propyl]carbazol-2-yl]ethanone;hydrochloride is sourced from PubChem (CID 3030732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).