1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile

C21H23N3 — CID 67996668

IUPAC1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile
SMILESCCn1c2ccccc2c2cc(CN3CCCC(C#N)C3)ccc21
InChIInChI=1S/C21H23N3/c1-2-24-20-8-4-3-7-18(20)19-12-16(9-10-21(19)24)14-23-11-5-6-17(13-22)15-23/h3-4,7-10,12,17H,2,5-6,11,14-15H2,1H3
InChIKeyLDGOEVCVOOPAQG-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.55
Rot. Bonds3

About 1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile

1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile (PubChem CID 67996668) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile
PubChem CID67996668
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile
SMILESCCn1c2ccccc2c2cc(CN3CCCC(C#N)C3)ccc21
InChIInChI=1S/C21H23N3/c1-2-24-20-8-4-3-7-18(20)19-12-16(9-10-21(19)24)14-23-11-5-6-17(13-22)15-23/h3-4,7-10,12,17H,2,5-6,11,14-15H2,1H3
InChIKeyLDGOEVCVOOPAQG-UHFFFAOYSA-N
XLogP4.55
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylpiperidine-3-carbonitrile
CID 22931257
(3S)-1-benzylpiperidine-3-carbonitrile
CID 86315096
3-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-9-ethylcarbazole
CID 1378344
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;hydrochloride
CID 156592203
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;dihydrochloride
CID 75531489
9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
CID 2058524
1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile
CID 74243723
1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
CID 43926053
9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366921
1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-amine
CID 67996165
9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole
CID 2845430
1-[2-(4-benzylpiperazin-1-yl)ethyl]piperidine-3-carbonitrile
CID 91837142

Frequently Asked Questions

What is the IUPAC name of 1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile?
The IUPAC name of 1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile (CID 67996668) is 1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile is CCn1c2ccccc2c2cc(CN3CCCC(C#N)C3)ccc21.
What is the InChIKey of 1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile?
The InChIKey is LDGOEVCVOOPAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-2-24-20-8-4-3-7-18(20)19-12-16(9-10-21(19)24)14-23-11-5-6-17(13-22)15-23/h3-4,7-10,12,17H,2,5-6,11,14-15H2,1H3.
What are the key properties of 1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile?
1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile has a molecular weight of 317.44 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile is sourced from PubChem (CID 67996668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).