1-[9-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]carbazol-3-yl]ethanone;hydrochloride

C28H31ClN2O2 — CID 18782781

IUPAC1-[9-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]carbazol-3-yl]ethanone;hydrochloride
SMILESCC(=O)c1ccc2c(c1)c1ccccc1n2CCCN1CCC(O)(c2ccccc2)CC1.Cl
InChIInChI=1S/C28H30N2O2.ClH/c1-21(31)22-12-13-27-25(20-22)24-10-5-6-11-26(24)30(27)17-7-16-29-18-14-28(32,15-19-29)23-8-3-2-4-9-23;/h2-6,8-13,20,32H,7,14-19H2,1H3;1H
InChIKeyXRFCZRITSXYVPP-UHFFFAOYSA-N
MW463.02 g/mol
LogP5.79
Rot. Bonds6

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

1-[9-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]carbazol-3-yl]ethanone;hydrochloride (PubChem CID 18782781) has the molecular formula C28H31ClN2O2 and a molecular weight of 463.02 g/mol. Its IUPAC name is 1-[9-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]carbazol-3-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[9-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]carbazol-3-yl]ethanone;hydrochloride
PubChem CID18782781
Molecular FormulaC28H31ClN2O2
Molecular Weight463.02 g/mol
Exact Mass462.21
IUPAC Name1-[9-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]carbazol-3-yl]ethanone;hydrochloride
SMILESCC(=O)c1ccc2c(c1)c1ccccc1n2CCCN1CCC(O)(c2ccccc2)CC1.Cl
InChIInChI=1S/C28H30N2O2.ClH/c1-21(31)22-12-13-27-25(20-22)24-10-5-6-11-26(24)30(27)17-7-16-29-18-14-28(32,15-19-29)23-8-3-2-4-9-23;/h2-6,8-13,20,32H,7,14-19H2,1H3;1H
InChIKeyXRFCZRITSXYVPP-UHFFFAOYSA-N
XLogP5.79
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.02
LogP ≤ 55.79
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-hydroxy-4-phenylpiperidin-1-yl)propyl]carbazol-3-yl]ethanone;hydrochloride?
The IUPAC name of 1-[9-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]carbazol-3-yl]ethanone;hydrochloride (CID 18782781) is 1-[9-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]carbazol-3-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[9-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]carbazol-3-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[9-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]carbazol-3-yl]ethanone;hydrochloride is CC(=O)c1ccc2c(c1)c1ccccc1n2CCCN1CCC(O)(c2ccccc2)CC1.Cl.
What is the InChIKey of 1-[9-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]carbazol-3-yl]ethanone;hydrochloride?
The InChIKey is XRFCZRITSXYVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2.ClH/c1-21(31)22-12-13-27-25(20-22)24-10-5-6-11-26(24)30(27)17-7-16-29-18-14-28(32,15-19-29)23-8-3-2-4-9-23;/h2-6,8-13,20,32H,7,14-19H2,1H3;1H.
What are the key properties of 1-[9-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]carbazol-3-yl]ethanone;hydrochloride?
1-[9-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]carbazol-3-yl]ethanone;hydrochloride has a molecular weight of 463.02 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]carbazol-3-yl]ethanone;hydrochloride is sourced from PubChem (CID 18782781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).