1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol

C21H24Cl2N2O — CID 2861171

IUPAC1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H24Cl2N2O/c1-14-6-8-24(9-7-14)12-17(26)13-25-20-4-2-15(22)10-18(20)19-11-16(23)3-5-21(19)25/h2-5,10-11,14,17,26H,6-9,12-13H2,1H3
InChIKeyRILSXAOQULQQMZ-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.19
Rot. Bonds4

About 1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol

1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 2861171) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is 1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID2861171
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H24Cl2N2O/c1-14-6-8-24(9-7-14)12-17(26)13-25-20-4-2-15(22)10-18(20)19-11-16(23)3-5-21(19)25/h2-5,10-11,14,17,26H,6-9,12-13H2,1H3
InChIKeyRILSXAOQULQQMZ-UHFFFAOYSA-N
XLogP5.19
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 2861171) is 1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(CC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1.
What is the InChIKey of 1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is RILSXAOQULQQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-14-6-8-24(9-7-14)12-17(26)13-25-20-4-2-15(22)10-18(20)19-11-16(23)3-5-21(19)25/h2-5,10-11,14,17,26H,6-9,12-13H2,1H3.
What are the key properties of 1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 391.34 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichlorocarbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 2861171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).