(3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine]

C16H20BrN — CID 58137278

IUPAC(3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine]
SMILESCC/C=C1/CC2(CCNCC2)c2c(Br)cccc21
InChIInChI=1S/C16H20BrN/c1-2-4-12-11-16(7-9-18-10-8-16)15-13(12)5-3-6-14(15)17/h3-6,18H,2,7-11H2,1H3/b12-4-
InChIKeyCKXPXQMEQPUWNA-QCDXTXTGSA-N
MW306.25 g/mol
LogP4.27
Rot. Bonds1

About (3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine]

(3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine] (PubChem CID 58137278) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is (3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine].

Molecular Properties

Compound Name(3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine]
PubChem CID58137278
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC Name(3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine]
SMILESCC/C=C1/CC2(CCNCC2)c2c(Br)cccc21
InChIInChI=1S/C16H20BrN/c1-2-4-12-11-16(7-9-18-10-8-16)15-13(12)5-3-6-14(15)17/h3-6,18H,2,7-11H2,1H3/b12-4-
InChIKeyCKXPXQMEQPUWNA-QCDXTXTGSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine]?
The IUPAC name of (3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine] (CID 58137278) is (3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine].
What is the SMILES notation for (3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine]?
The canonical SMILES for (3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine] is CC/C=C1/CC2(CCNCC2)c2c(Br)cccc21.
What is the InChIKey of (3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine]?
The InChIKey is CKXPXQMEQPUWNA-QCDXTXTGSA-N. The full InChI is InChI=1S/C16H20BrN/c1-2-4-12-11-16(7-9-18-10-8-16)15-13(12)5-3-6-14(15)17/h3-6,18H,2,7-11H2,1H3/b12-4-.
What are the key properties of (3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine]?
(3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine] has a molecular weight of 306.25 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine] is sourced from PubChem (CID 58137278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).