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

C26H27Cl2N3O — CID 2852080

IUPAC1-(4-benzylpiperazin-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C26H27Cl2N3O/c27-20-6-8-25-23(14-20)24-15-21(28)7-9-26(24)31(25)18-22(32)17-30-12-10-29(11-13-30)16-19-4-2-1-3-5-19/h1-9,14-15,22,32H,10-13,16-18H2
InChIKeyDDJRRLCZCHXFJP-UHFFFAOYSA-N
MW468.43 g/mol
LogP5.28
Rot. Bonds6

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

1-(4-benzylpiperazin-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (PubChem CID 2852080) has the molecular formula C26H27Cl2N3O and a molecular weight of 468.43 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
PubChem CID2852080
Molecular FormulaC26H27Cl2N3O
Molecular Weight468.43 g/mol
Exact Mass467.15
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C26H27Cl2N3O/c27-20-6-8-25-23(14-20)24-15-21(28)7-9-26(24)31(25)18-22(32)17-30-12-10-29(11-13-30)16-19-4-2-1-3-5-19/h1-9,14-15,22,32H,10-13,16-18H2
InChIKeyDDJRRLCZCHXFJP-UHFFFAOYSA-N
XLogP5.28
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.43
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
1-(9H-Carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol
CID 56212
1-[4-(3-Carbazol-9-yl-2-hydroxy-propyl)-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
4-(3-Carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde
CID 2903990
1-Morpholin-4-yl-3-(1,2,3,4-tetrahydro-carbazol-9-yl)-propan-2-ol
CID 14415827
3,6-dichloro-9-(4-morpholinylmethyl)-9H-carbazole
CID 757828
1,3-di(9H-carbazol-9-yl)propan-2-ol
CID 1898613
3,6-dichloro-9-(oxiran-2-ylmethyl)-9H-carbazole
CID 2775472

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (CID 2852080) is 1-(4-benzylpiperazin-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is OC(CN1CCN(Cc2ccccc2)CC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The InChIKey is DDJRRLCZCHXFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N3O/c27-20-6-8-25-23(14-20)24-15-21(28)7-9-26(24)31(25)18-22(32)17-30-12-10-29(11-13-30)16-19-4-2-1-3-5-19/h1-9,14-15,22,32H,10-13,16-18H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
1-(4-benzylpiperazin-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol has a molecular weight of 468.43 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 2852080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).