1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride

C18H27Cl2N3 — CID 3045520

IUPAC1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride
SMILESCN1CCC2(CC1)NC(C)(C)Cc1[nH]c3ccccc3c12.Cl.Cl
InChIInChI=1S/C18H25N3.2ClH/c1-17(2)12-15-16(13-6-4-5-7-14(13)19-15)18(20-17)8-10-21(3)11-9-18;;/h4-7,19-20H,8-12H2,1-3H3;2*1H
InChIKeyFDTSCAGJKUKXQA-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.86
Rot. Bonds

About 1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride

1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride (PubChem CID 3045520) has the molecular formula C18H27Cl2N3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride.

Molecular Properties

Compound Name1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride
PubChem CID3045520
Molecular FormulaC18H27Cl2N3
Molecular Weight356.34 g/mol
Exact Mass355.16
IUPAC Name1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride
SMILESCN1CCC2(CC1)NC(C)(C)Cc1[nH]c3ccccc3c12.Cl.Cl
InChIInChI=1S/C18H25N3.2ClH/c1-17(2)12-15-16(13-6-4-5-7-14(13)19-15)18(20-17)8-10-21(3)11-9-18;;/h4-7,19-20H,8-12H2,1-3H3;2*1H
InChIKeyFDTSCAGJKUKXQA-UHFFFAOYSA-N
XLogP3.86
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane];hydrochloride
CID 3045519
9H-carbazole;4-methylmorpholine
CID 175233361
3,3-dimethyl-1,2,4,9-tetrahydropyrido[3,4-b]indole
CID 84739726
11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene
CID 45379370
3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole
CID 23266875
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
CID 113211710
2-methyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole;molecular hydrogen
CID 143420706
1-(1-methylcyclohexyl)-9H-carbazole
CID 173176825
1'-methylspiro[1,3-dihydroindole-2,4'-piperidine]
CID 170208528
1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole
CID 135213343
(3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
CID 71051189
(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 8896360

Frequently Asked Questions

What is the IUPAC name of 1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride?
The IUPAC name of 1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride (CID 3045520) is 1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride.
What is the SMILES notation for 1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride?
The canonical SMILES for 1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride is CN1CCC2(CC1)NC(C)(C)Cc1[nH]c3ccccc3c12.Cl.Cl.
What is the InChIKey of 1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride?
The InChIKey is FDTSCAGJKUKXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3.2ClH/c1-17(2)12-15-16(13-6-4-5-7-14(13)19-15)18(20-17)8-10-21(3)11-9-18;;/h4-7,19-20H,8-12H2,1-3H3;2*1H.
What are the key properties of 1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride?
1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride has a molecular weight of 356.34 g/mol, XLogP of 3.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3,3-trimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,4'-piperidine];dihydrochloride is sourced from PubChem (CID 3045520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).