1-butylpiperidine;3,3-difluoro-2H-acridine

C22H28F2N2 — CID 160676935

IUPAC1-butylpiperidine;3,3-difluoro-2H-acridine
SMILESCCCCN1CCCCC1.FC1(F)C=c2nc3ccccc3cc2=CC1
InChIInChI=1S/C13H9F2N.C9H19N/c14-13(15)6-5-10-7-9-3-1-2-4-11(9)16-12(10)8-13;1-2-3-7-10-8-5-4-6-9-10/h1-5,7-8H,6H2;2-9H2,1H3
InChIKeyRNQPIWGIVTZADD-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.11
Rot. Bonds3

About 1-butylpiperidine;3,3-difluoro-2H-acridine

1-butylpiperidine;3,3-difluoro-2H-acridine (PubChem CID 160676935) has the molecular formula C22H28F2N2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-butylpiperidine;3,3-difluoro-2H-acridine.

Molecular Properties

Compound Name1-butylpiperidine;3,3-difluoro-2H-acridine
PubChem CID160676935
Molecular FormulaC22H28F2N2
Molecular Weight358.48 g/mol
Exact Mass358.22
IUPAC Name1-butylpiperidine;3,3-difluoro-2H-acridine
SMILESCCCCN1CCCCC1.FC1(F)C=c2nc3ccccc3cc2=CC1
InChIInChI=1S/C13H9F2N.C9H19N/c14-13(15)6-5-10-7-9-3-1-2-4-11(9)16-12(10)8-13;1-2-3-7-10-8-5-4-6-9-10/h1-5,7-8H,6H2;2-9H2,1H3
InChIKeyRNQPIWGIVTZADD-UHFFFAOYSA-N
XLogP4.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydroindolo[2,3-a]quinolizine
CID 18963250
2-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
CID 19824927
3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
CID 19824930
1',5-dimethyl-3-(trifluoromethyl)spiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
CID 19824940
8-Fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole
CID 67312164
6-[1-(Cyclohexa-1,3-dien-1-ylmethyl)-2,5-dihydropyrrol-3-yl]-2-(trifluoromethyl)-3,4-dihydropyridine
CID 68383162
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 136271335
8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 136645338
8-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 136645342
2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 145564593
ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium
CID 167493162
1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
CID 19824936

Frequently Asked Questions

What is the IUPAC name of 1-butylpiperidine;3,3-difluoro-2H-acridine?
The IUPAC name of 1-butylpiperidine;3,3-difluoro-2H-acridine (CID 160676935) is 1-butylpiperidine;3,3-difluoro-2H-acridine.
What is the SMILES notation for 1-butylpiperidine;3,3-difluoro-2H-acridine?
The canonical SMILES for 1-butylpiperidine;3,3-difluoro-2H-acridine is CCCCN1CCCCC1.FC1(F)C=c2nc3ccccc3cc2=CC1.
What is the InChIKey of 1-butylpiperidine;3,3-difluoro-2H-acridine?
The InChIKey is RNQPIWGIVTZADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N.C9H19N/c14-13(15)6-5-10-7-9-3-1-2-4-11(9)16-12(10)8-13;1-2-3-7-10-8-5-4-6-9-10/h1-5,7-8H,6H2;2-9H2,1H3.
What are the key properties of 1-butylpiperidine;3,3-difluoro-2H-acridine?
1-butylpiperidine;3,3-difluoro-2H-acridine has a molecular weight of 358.48 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpiperidine;3,3-difluoro-2H-acridine is sourced from PubChem (CID 160676935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).