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

C21H24Cl2N2O — CID 141473190

IUPAC1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCCN1CC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C21H24Cl2N2O/c1-14-4-2-3-9-24(14)12-17(26)13-25-20-7-5-15(22)10-18(20)19-11-16(23)6-8-21(19)25/h5-8,10-11,14,17,26H,2-4,9,12-13H2,1H3
InChIKeyDEHVMNIMKYKDQN-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.34
Rot. Bonds4

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

1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol (PubChem CID 141473190) 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-(2-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol
PubChem CID141473190
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCCN1CC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C21H24Cl2N2O/c1-14-4-2-3-9-24(14)12-17(26)13-25-20-7-5-15(22)10-18(20)19-11-16(23)6-8-21(19)25/h5-8,10-11,14,17,26H,2-4,9,12-13H2,1H3
InChIKeyDEHVMNIMKYKDQN-UHFFFAOYSA-N
XLogP5.34
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 ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
Dorastine
CID 30530
1-(9H-Carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol
CID 56212
1-(3,6-dichloro-9H-carbazol-9-yl)-3-((2-methoxyethyl)amino)propan-2-ol
CID 2920941
1-[4-(3-Carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone
CID 2899994
1-(2,3-dimethyl-1H-indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 4229169
1-(3-Chloro-phenylamino)-3-(3,6-dichloro-carbazol-9-yl)-propan-2-ol
CID 3103959
alpha-((Dipropylamino)methyl)-9H-carbazole-9-ethanol
CID 2802130
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(4-chlorophenyl)methanesulfonamide
CID 2887918
Cambridge id 5723280
CID 2864698
1-Carbazol-9-yl-3-[(3-methylbutyl)amino]propan-2-ol, chloride
CID 16247239
4-(3-Carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde
CID 2903990

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol (CID 141473190) is 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol is CC1CCCCN1CC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is DEHVMNIMKYKDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-14-4-2-3-9-24(14)12-17(26)13-25-20-7-5-15(22)10-18(20)19-11-16(23)6-8-21(19)25/h5-8,10-11,14,17,26H,2-4,9,12-13H2,1H3.
What are the key properties of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol?
1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 391.34 g/mol, XLogP of 5.34, 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-(2-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 141473190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).