9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole

C20H25N3 — CID 16727953

IUPAC9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole
SMILESC[C@@H]1CN(CCn2c3ccccc3c3ccccc32)C[C@H](C)N1
InChIInChI=1S/C20H25N3/c1-15-13-22(14-16(2)21-15)11-12-23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-10,15-16,21H,11-14H2,1-2H3/t15-,16+
InChIKeyDYJWQOVBILSTQG-IYBDPMFKSA-N
MW307.44 g/mol
LogP3.48
Rot. Bonds3

About 9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole

9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole (PubChem CID 16727953) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole.

Molecular Properties

Compound Name9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole
PubChem CID16727953
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole
SMILESC[C@@H]1CN(CCn2c3ccccc3c3ccccc32)C[C@H](C)N1
InChIInChI=1S/C20H25N3/c1-15-13-22(14-16(2)21-15)11-12-23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-10,15-16,21H,11-14H2,1-2H3/t15-,16+
InChIKeyDYJWQOVBILSTQG-IYBDPMFKSA-N
XLogP3.48
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole;hydrate;dihydrochloride
CID 70083319
9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole;sulfuric acid;hydrate
CID 70081812
9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine
CID 71456231
(Z)-but-2-enedioic acid;9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole
CID 13131685
9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 22822904
9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide
CID 70138429
1-(2-fluoroethyl)-3,5-dimethylpiperazine
CID 80694947
2-[4-(2-carbazol-9-ylethyl)piperazin-1-yl]ethanol
CID 137460079
1-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 124589712
3-[2-(3-methylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 65448101
9-(4-methylpentyl)carbazole
CID 153073309
(3S,5R)-3,5-dimethyl-1-(3-trityloxypropyl)piperazine
CID 69355796

Frequently Asked Questions

What is the IUPAC name of 9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole?
The IUPAC name of 9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole (CID 16727953) is 9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole.
What is the SMILES notation for 9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole?
The canonical SMILES for 9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole is C[C@@H]1CN(CCn2c3ccccc3c3ccccc32)C[C@H](C)N1.
What is the InChIKey of 9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole?
The InChIKey is DYJWQOVBILSTQG-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H25N3/c1-15-13-22(14-16(2)21-15)11-12-23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-10,15-16,21H,11-14H2,1-2H3/t15-,16+.
What are the key properties of 9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole?
9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole has a molecular weight of 307.44 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole is sourced from PubChem (CID 16727953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).