9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole

C25H35N3+2 — CID 7027663

IUPAC9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole
SMILESCCn1c2ccccc2c2cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)ccc21
InChIInChI=1S/C25H33N3/c1-2-28-24-9-5-4-8-22(24)23-18-20(10-11-25(23)28)19-26-16-12-21(13-17-26)27-14-6-3-7-15-27/h4-5,8-11,18,21H,2-3,6-7,12-17,19H2,1H3/p+2
InChIKeyZFQPKJHHMMGQKL-UHFFFAOYSA-P
MW377.58 g/mol
LogP2.43
Rot. Bonds4

About 9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole

9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole (PubChem CID 7027663) has the molecular formula C25H35N3+2 and a molecular weight of 377.58 g/mol. Its IUPAC name is 9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole
PubChem CID7027663
Molecular FormulaC25H35N3+2
Molecular Weight377.58 g/mol
Exact Mass377.28
IUPAC Name9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole
SMILESCCn1c2ccccc2c2cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)ccc21
InChIInChI=1S/C25H33N3/c1-2-28-24-9-5-4-8-22(24)23-18-20(10-11-25(23)28)19-26-16-12-21(13-17-26)27-14-6-3-7-15-27/h4-5,8-11,18,21H,2-3,6-7,12-17,19H2,1H3/p+2
InChIKeyZFQPKJHHMMGQKL-UHFFFAOYSA-P
XLogP2.43
TPSA13.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

9-ethyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]carbazole
CID 2162936
azepan-1-yl-[(3S)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-yl]methanone
CID 7114273
N-[(9-ethylcarbazol-3-yl)methyl]cyclopentanamine;hydrochloride
CID 17331028
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
9-ethyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]carbazole
CID 7060320
[4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934267
[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone
CID 2165679
[3-[(9-ethylcarbazol-3-yl)methyl-methylamino]cyclobutyl]methanol
CID 166376331
4-N-[(9-ethylcarbazol-3-yl)methyl]-4-N-(2-methylbutyl)cyclohexane-1,4-diamine
CID 23936208
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
3-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-9-ethylcarbazole
CID 1378344
1-[(2-bromophenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium
CID 6937910

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole?
The IUPAC name of 9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole (CID 7027663) is 9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole is CCn1c2ccccc2c2cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)ccc21.
What is the InChIKey of 9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole?
The InChIKey is ZFQPKJHHMMGQKL-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H33N3/c1-2-28-24-9-5-4-8-22(24)23-18-20(10-11-25(23)28)19-26-16-12-21(13-17-26)27-14-6-3-7-15-27/h4-5,8-11,18,21H,2-3,6-7,12-17,19H2,1H3/p+2.
What are the key properties of 9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole?
9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole has a molecular weight of 377.58 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]carbazole is sourced from PubChem (CID 7027663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).