3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole

C19H27N3 — CID 23266875

IUPAC3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole
SMILESCC1(C)Cc2[nH]c3ccccc3c2C(CN2CCCCC2)N1
InChIInChI=1S/C19H27N3/c1-19(2)12-16-18(14-8-4-5-9-15(14)20-16)17(21-19)13-22-10-6-3-7-11-22/h4-5,8-9,17,20-21H,3,6-7,10-13H2,1-2H3
InChIKeyRITQLYJBCGQYMW-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.62
Rot. Bonds2

About 3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole

3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 23266875) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID23266875
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole
SMILESCC1(C)Cc2[nH]c3ccccc3c2C(CN2CCCCC2)N1
InChIInChI=1S/C19H27N3/c1-19(2)12-16-18(14-8-4-5-9-15(14)20-16)17(21-19)13-22-10-6-3-7-11-22/h4-5,8-9,17,20-21H,3,6-7,10-13H2,1-2H3
InChIKeyRITQLYJBCGQYMW-UHFFFAOYSA-N
XLogP3.62
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 3737862
2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 22154185
3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride
CID 3045519
2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one
CID 91754487
1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride
CID 3045520
1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173176510
3,3-dimethyl-1,2,4,9-tetrahydropyrido[3,4-b]indole
CID 84739726
1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177006
(4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 9350450
3-(1-pyrrolidin-1-ylpropan-2-yl)-2-sulfanylidene-1H-quinazolin-4-one
CID 61237983
3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine
CID 82300706
2-methyl-3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 29442

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole (CID 23266875) is 3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole is CC1(C)Cc2[nH]c3ccccc3c2C(CN2CCCCC2)N1.
What is the InChIKey of 3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is RITQLYJBCGQYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-19(2)12-16-18(14-8-4-5-9-15(14)20-16)17(21-19)13-22-10-6-3-7-11-22/h4-5,8-9,17,20-21H,3,6-7,10-13H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole?
3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 297.45 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 23266875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).