1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole

C18H21N3 — CID 86173275

IUPAC1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1c(CCN3CCCCC3)nccc12
InChIInChI=1S/C18H21N3/c1-4-11-21(12-5-1)13-9-17-18-15(8-10-19-17)14-6-2-3-7-16(14)20-18/h2-3,6-8,10,20H,1,4-5,9,11-13H2
InChIKeyZHDOGMROBJNEPA-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.74
Rot. Bonds3

About 1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole

1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole (PubChem CID 86173275) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole
PubChem CID86173275
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1c(CCN3CCCCC3)nccc12
InChIInChI=1S/C18H21N3/c1-4-11-21(12-5-1)13-9-17-18-15(8-10-19-17)14-6-2-3-7-16(14)20-18/h2-3,6-8,10,20H,1,4-5,9,11-13H2
InChIKeyZHDOGMROBJNEPA-UHFFFAOYSA-N
XLogP3.74
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propyl-9H-pyrido[3,4-b]indole
CID 15381905
(8S)-N-(3-piperidin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176623
1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole
CID 151654527
1-[(2,3,4,5,6-pentafluorophenyl)methyl]-9H-pyrido[3,4-b]indole
CID 175324734
1-(3-methylbut-2-enyl)-9H-pyrido[3,4-b]indole
CID 163409626
1-(2,4,10-trioxatricyclo[3.3.1.13,7]decan-3-ylmethyl)-9H-pyrido[3,4-b]indole
CID 10914249
(2S)-2-hydroxy-3-(9H-pyrido[3,4-b]indol-1-yl)propanoic acid
CID 163185799
3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine
CID 83919940
1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole
CID 175008340
2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 901181
(2R,3S,4R,6S)-2-methyl-6-[2-(9H-pyrido[3,4-b]indol-1-yl)ethoxy]oxane-3,4-diol
CID 101164488
N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine
CID 163547256

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole (CID 86173275) is 1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole is c1ccc2c(c1)[nH]c1c(CCN3CCCCC3)nccc12.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole?
The InChIKey is ZHDOGMROBJNEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-4-11-21(12-5-1)13-9-17-18-15(8-10-19-17)14-6-2-3-7-16(14)20-18/h2-3,6-8,10,20H,1,4-5,9,11-13H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole?
1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole has a molecular weight of 279.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 86173275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).