2-bromo-7-methylspiro[fluorene-9,4'-piperidine]

C18H18BrN — CID 122492124

IUPAC2-bromo-7-methylspiro[fluorene-9,4'-piperidine]
SMILESCc1ccc2c(c1)C1(CCNCC1)c1cc(Br)ccc1-2
InChIInChI=1S/C18H18BrN/c1-12-2-4-14-15-5-3-13(19)11-17(15)18(16(14)10-12)6-8-20-9-7-18/h2-5,10-11,20H,6-9H2,1H3
InChIKeyDUZFXAHKFOZZJV-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.41
Rot. Bonds

About 2-bromo-7-methylspiro[fluorene-9,4'-piperidine]

2-bromo-7-methylspiro[fluorene-9,4'-piperidine] (PubChem CID 122492124) has the molecular formula C18H18BrN and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-bromo-7-methylspiro[fluorene-9,4'-piperidine].

Molecular Properties

Compound Name2-bromo-7-methylspiro[fluorene-9,4'-piperidine]
PubChem CID122492124
Molecular FormulaC18H18BrN
Molecular Weight328.25 g/mol
Exact Mass327.06
IUPAC Name2-bromo-7-methylspiro[fluorene-9,4'-piperidine]
SMILESCc1ccc2c(c1)C1(CCNCC1)c1cc(Br)ccc1-2
InChIInChI=1S/C18H18BrN/c1-12-2-4-14-15-5-3-13(19)11-17(15)18(16(14)10-12)6-8-20-9-7-18/h2-5,10-11,20H,6-9H2,1H3
InChIKeyDUZFXAHKFOZZJV-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]
CID 59318763
2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
CID 160868651
2-bromo-7-methyl-9H-fluorene
CID 21041918
2-bromo-7-methyl-9-methylidenefluorene
CID 143934053
5-bromospiro[1,2-dihydroindene-3,4'-piperidine]
CID 83671316
2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene
CID 10651210
(1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol
CID 155076011
2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene]
CID 89459013
4-(2,5-dimethylphenyl)-4-fluoropiperidine
CID 112563134
4,11-dibromopentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene
CID 22278002
2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
CID 58371139
2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 162105007

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-methylspiro[fluorene-9,4'-piperidine]?
The IUPAC name of 2-bromo-7-methylspiro[fluorene-9,4'-piperidine] (CID 122492124) is 2-bromo-7-methylspiro[fluorene-9,4'-piperidine].
What is the SMILES notation for 2-bromo-7-methylspiro[fluorene-9,4'-piperidine]?
The canonical SMILES for 2-bromo-7-methylspiro[fluorene-9,4'-piperidine] is Cc1ccc2c(c1)C1(CCNCC1)c1cc(Br)ccc1-2.
What is the InChIKey of 2-bromo-7-methylspiro[fluorene-9,4'-piperidine]?
The InChIKey is DUZFXAHKFOZZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN/c1-12-2-4-14-15-5-3-13(19)11-17(15)18(16(14)10-12)6-8-20-9-7-18/h2-5,10-11,20H,6-9H2,1H3.
What are the key properties of 2-bromo-7-methylspiro[fluorene-9,4'-piperidine]?
2-bromo-7-methylspiro[fluorene-9,4'-piperidine] has a molecular weight of 328.25 g/mol, XLogP of 4.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-methylspiro[fluorene-9,4'-piperidine] is sourced from PubChem (CID 122492124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).